SCHEMBL16675784

SCHEMBL16675784

COc1cnc(-c2cccc(CO)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FYN P06241 13/20 0.49
CDK8 P49336 1/20 0.47
CHEK1 O14757 1/20 0.44
CHEK2 O96017 1/20 0.44
PRKCI P41743 1/20 0.44
HSD17B1 P14061 2/20 0.44
HSD17B2 P37059 2/20 0.44
ATR Q13535 1/20 0.42

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
SCHEMBL29462100 1.00 FYN (0.49) FYNCDK8CHEK1CHEK2PRKCI
SCHEMBL16675787 0.87 FYN (0.51) FYNCDK8CHEK1CHEK2PRKCI
SCHEMBL16675771 0.81 HSD17B1 (0.64) FYNCDK8PRKCIHSD17B1HSD17B2
SCHEMBL29914764 0.80 HSD17B1 (0.71) FYNHSD17B1HSD17B2
SCHEMBL21228179 0.80 HSD17B1 (0.71) FYNHSD17B1HSD17B2
SCHEMBL12241214 0.80 CDK8 (0.50) FYNCDK8CHEK1CHEK2PRKCI
SCHEMBL16675774 0.79 FYN (0.58) FYNCHEK1CHEK2PRKCI
SCHEMBL16675760 0.79 CNR1 (0.48) FYNCDK8PRKCI
SCHEMBL23601693 0.78 KDR (0.48) HSD17B1HSD17B2ATR
SCHEMBL23309287 0.78 CYP4F2 (0.48) FYNCDK8CHEK1CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110218218-B Benzofuran derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-04-08 CN disclosed
EP-2855489-B1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL MYERS SQUIBB CO (US) 2017-01-04 EP disclosed
US-9518064-B2 Imidazothiadiazole and imidazopyridazine derivatives as protease activated receptor 4 (PAR4) inhibitors for treating platelet aggregation BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-13 US disclosed
US-9518064-B2 Imidazothiadiazole and imidazopyridazine derivatives as protease activated receptor 4 (PAR4) inhibitors for treating platelet aggregation BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-13 US disclosed
US-20150119390-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL-MYERS SQUIBB COMPANY 2015-04-30 US disclosed
US-20150119390-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL-MYERS SQUIBB COMPANY 2015-04-30 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 (1 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-20150119390-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION F2RL3, F2R, F2RL1 FYN 1063/4885CDK8 605/4885CHEK1 3366/4885

“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.