SCHEMBL16675781

SCHEMBL16675781

COc1cc(C)c(-c2cccc(CO)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FYN P06241 9/20 0.46
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
ABL1 P00519 1/20 0.42
NNMT P40261 1/20 0.42
CDK8 P49336 1/20 0.42
PRKCI P41743 1/20 0.42
MAP2K4 P45985 1/20 0.41
ORAI1 Q96D31 1/20 0.41
F2RL3 Q96RI0 1/20 0.41
CYP2A6 P11509 1/20 0.40

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
SCHEMBL16475095 0.82 NNMT (0.47) FYNHSD17B1HSD17B2ABL1NNMT
SCHEMBL16675771 0.81 HSD17B1 (0.64) FYNHSD17B1HSD17B2CDK8PRKCI
SCHEMBL29462100 0.77 FYN (0.49) FYNHSD17B1HSD17B2CDK8PRKCI
SCHEMBL16675784 0.77 FYN (0.49) FYNHSD17B1HSD17B2CDK8PRKCI
SCHEMBL16675748 0.75 FFAR1 (0.53) FYNABL1PRKCICYP2A6
SCHEMBL16675754 0.75 QPCT (0.51) FYNCDK8PRKCIF2RL3
SCHEMBL15349707 0.75 PRKCI (0.51) FYNCDK8PRKCI
SCHEMBL5183305 0.74 DGAT1 (0.49) ABL1NNMTF2RL3CYP2A6
SCHEMBL3452137 0.74 MAP2K4 (0.51) FYNCDK8PRKCIMAP2K4
SCHEMBL27817316 0.74 CHRNB4 (0.45) FYNCDK8PRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1063/4885HSD17B1 1901/4885HSD17B2 2208/4885

“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.