SCHEMBL310368

SCHEMBL310368

COc1cc(N2CCN(C(C)C)CC2)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
PKM P14618 1/20 0.49
FYN P06241 1/20 0.48
TGFBR1 P36897 2/20 0.47
ACVR1 Q04771 2/20 0.47
KCNH2 Q12809 1/20 0.47
ALK Q9UM73 2/20 0.46
TLR9 Q9NR96 3/20 0.44
TLR7 Q9NYK1 3/20 0.44
TLR8 Q9NR97 2/20 0.44
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KHK P50053 1/20 0.43
SUV39H2 Q9H5I1 1/20 0.43
IGF1R P08069 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL2209498 1.00 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTPKMFYN
SCHEMBL2204683 0.94 CHEK1 (0.46) ALDH1A1KDM4EMAPTPKMFYN
SCHEMBL15358736 0.89 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTPKMCYP3A4
SCHEMBL2206359 0.88 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTPKMFYN
SCHEMBL517509 0.87 VCP (0.43) ALDH1A1KDM4EMAPTPKMFYN
SCHEMBL13362045 0.86 MAPT (0.41) ALDH1A1KDM4EMAPTPKMFYN
SCHEMBL24625573 0.84 MAPT (0.45) ALDH1A1KDM4EMAPTPKMFYN
SCHEMBL309692 0.84 MAPT (0.47) ALDH1A1KDM4EMAPTPKMFYN
SCHEMBL1911903 0.83 TGFBR1 (0.51) ALDH1A1KDM4EMAPTPKMFYN
SCHEMBL3309196 0.83 GAA (0.40) ALDH1A1KDM4EMAPTFYNTGFBR1

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4402127-A1 AMINOPYRIDINES AS ACTIVATORS OF PI3 KINASE UCL Business Ltd (GB) 2024-07-24 EP disclosed
WO-2023041905-A1 AMINOPYRIDINES AS ACTIVATORS OF PI3 KINASE UCL BUSINESS LTD (GB) 2023-03-23 WO disclosed
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-03-02 US disclosed
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-02-16 US disclosed
US-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2022-07-14 US disclosed
US-20220056037-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2022-02-24 US disclosed
EP-3372594-B1 PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER HUMANWELL HEALTHCARE GROUP CO LTD (CN) 2021-07-21 EP disclosed
EP-3372594-B1 PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER HUMANWELL HEALTHCARE GROUP CO LTD (CN) 2021-07-21 EP disclosed
US-10980816-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof SANOFI (FR) 2021-04-20 US disclosed
US-20200323874-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2020-10-15 US disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2008-06-05 US disclosed
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2008-06-05 US disclosed
US-7371753-B2 Dihydropteridinones, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-13 US disclosed
US-7371753-B2 Dihydropteridinones, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-13 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 (8 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-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 ALDH1A1 3410/4885KDM4E 790/4885MAPT 2367/4885
US-20220056037-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK ALDH1A1 4227/4885KDM4E 1234/4885MAPT 3636/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD ALDH1A1 647/4885KDM4E 2826/4885MAPT 2178/4885
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK ALDH1A1 4227/4885KDM4E 1234/4885MAPT 3636/4885
US-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK ALDH1A1 4227/4885KDM4E 1234/4885MAPT 3636/4885
US-20200323874-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, TYMP, DHFR ALDH1A1 100/4885KDM4E 3388/4885MAPT 4314/4885
US-10980816-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof DPYD, TYMP, DHFR ALDH1A1 69/4885KDM4E 2998/4885MAPT 4153/4885
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK ALDH1A1 4227/4885KDM4E 1234/4885MAPT 3636/4885

“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.