SCHEMBL19002677

SCHEMBL19002677

COc1ccc(CN2CCN(C(=O)C(C)(C)C)CC2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.66
KDM4E B2RXH2 6/20 0.66
MEN1 O00255 5/20 0.66
TP53 P04637 1/20 0.66
MAPK1 P28482 1/20 0.66
FAAH O00519 1/20 0.62
ALDH1A1 P00352 4/20 0.58
PKM P14618 1/20 0.56
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.55
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL19049371 0.85 KDM4E (0.70) KMT2AKDM4EMEN1TP53MAPK1
SCHEMBL1600111 0.83 KMT2A (0.65) KMT2AKDM4EMEN1TP53MAPK1
SCHEMBL19002673 0.83 KDM4E (0.75) KMT2AKDM4EMEN1TP53MAPK1
SCHEMBL19002248 0.82 POLB (0.64) KMT2AMEN1FAAHALDH1A1PKM
SCHEMBL21169301 0.82 KMT2A (0.73) KMT2AKDM4EMEN1TP53MAPK1
SCHEMBL19002257 0.81 ALDH1A1 (0.67) KMT2AKDM4EMEN1FAAHALDH1A1
SCHEMBL26161413 0.80 FAAH (0.60) KMT2AFAAHALDH1A1
SCHEMBL18177822 0.79 KMT2A (0.55) KMT2AKDM4EMEN1TP53MAPK1
SCHEMBL3243026 0.77 ATM (0.61) KMT2AKDM4EMEN1MAPK1FAAH
SCHEMBL20665487 0.77 ALDH1A1 (0.55) KMT2AKDM4EMEN1FAAHALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-06-08 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-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-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-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage WASE, NISHIKANT 2020-03-05 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-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 (11 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 KMT2A 4024/4885KDM4E 4215/4885MEN1 1612/4885
US-10221191-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 KMT2A 3544/4885KDM4E 3392/4885MEN1 4080/4885
US-10588894-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS KMT2A 4024/4885KDM4E 4215/4885MEN1 1612/4885
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 KMT2A 2512/4885KDM4E 1755/4885MEN1 2824/4885
US-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS KMT2A 4024/4885KDM4E 4215/4885MEN1 1612/4885
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS KMT2A 4024/4885KDM4E 4215/4885MEN1 1612/4885
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS KMT2A 4024/4885KDM4E 4215/4885MEN1 1612/4885
US-20190022074-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS KMT2A 4024/4885KDM4E 4215/4885MEN1 1612/4885
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease HRAS, KRAS, NRAS KMT2A 4024/4885KDM4E 4215/4885MEN1 1612/4885
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS KMT2A 4024/4885KDM4E 4215/4885MEN1 1612/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 KMT2A 3544/4885KDM4E 3392/4885MEN1 4080/4885

“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.