SCHEMBL19001326

SCHEMBL19001326

COc1ncc(CCNC(=O)C(C)(C)C)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 2/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP8 P22894 1/20 0.37
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19001323 0.83 POLB (0.47) POLBALDH1A1NPC1CYP1A2CYP3A4
SCHEMBL19049442 0.83 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2KDM4EHSD17B10MAPT
SCHEMBL18997712 0.81 MTNR1A (0.46) POLBALDH1A1NPC1CYP1A2CYP3A4
SCHEMBL19001316 0.80 ACACB (0.48)
SCHEMBL18997748 0.78 POLB (0.49) POLBALDH1A1NPC1CYP1A2CYP3A4
SCHEMBL25593244 0.77 POLB (0.45) POLBALDH1A1NPC1CYP1A2CYP3A4
SCHEMBL18997759 0.76 POLB (0.48) POLBALDH1A1NPC1CYP1A2CYP3A4
SCHEMBL18997725 0.74 ALDH1A1 (0.45) POLBALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL18997700 0.74 LOX (0.48) POLBALDH1A1NPC1CYP1A2CYP3A4
SCHEMBL9108659 0.72 KDM4E (0.42) ALDH1A1KDM4ETSHRHSD17B10MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-11560390-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2023-01-24 US disclosed
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2023-01-03 US disclosed
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2022-01-04 US disclosed
US-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-05-11 US disclosed
US-10940139-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-09 US disclosed
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-02 US disclosed
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2020-12-22 US disclosed
US-20200121660-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-04-23 US disclosed
US-10588894-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2020-03-17 US disclosed
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-27 US disclosed
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-20 US disclosed
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE SHY Therapeutics LLC 2019-07-18 US disclosed
US-10221191-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC 2019-03-05 US disclosed
US-20190022074-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY Therapeutics LLC 2019-01-24 US disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (17 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS POLB 3534/4885ALDH1A1 3448/4885NPC1 2606/4885
US-10221191-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 POLB 1589/4885ALDH1A1 2765/4885NPC1 2024/4885
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE MAPK1, MAPK6, MAP3K1 POLB 1722/4885ALDH1A1 2861/4885NPC1 2556/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 POLB 1589/4885ALDH1A1 2765/4885NPC1 2024/4885
US-11560390-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 POLB 1589/4885ALDH1A1 2765/4885NPC1 2024/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 POLB 1589/4885ALDH1A1 2765/4885NPC1 2024/4885
US-20200121660-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS POLB 3534/4885ALDH1A1 3448/4885NPC1 2606/4885
US-10588894-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS POLB 3534/4885ALDH1A1 3448/4885NPC1 2606/4885
US-10940139-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS POLB 3534/4885ALDH1A1 3448/4885NPC1 2606/4885
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS POLB 3534/4885ALDH1A1 3448/4885NPC1 2606/4885
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS POLB 3534/4885ALDH1A1 3448/4885NPC1 2606/4885
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS POLB 3534/4885ALDH1A1 3448/4885NPC1 2606/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS POLB 3534/4885ALDH1A1 3448/4885NPC1 2606/4885
US-20190022074-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS POLB 3534/4885ALDH1A1 3448/4885NPC1 2606/4885
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease HRAS, KRAS, NRAS POLB 3534/4885ALDH1A1 3448/4885NPC1 2606/4885
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS POLB 3534/4885ALDH1A1 3448/4885NPC1 2606/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 POLB 1589/4885ALDH1A1 2765/4885NPC1 2024/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.