SCHEMBL16675771

SCHEMBL16675771

COc1ccc(-c2cccc(CO)c2)cn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.64
HSD17B2 P37059 2/20 0.64
FYN P06241 4/20 0.52
PRKCI P41743 1/20 0.49
CDK8 P49336 1/20 0.48
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
CTSA P10619 1/20 0.46
MTOR P42345 1/20 0.46
KDR P35968 3/20 0.46
EPHB4 P54760 2/20 0.46
TEK Q02763 2/20 0.46
CYP2A6 P11509 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.45

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
SCHEMBL18251117 0.86 HSD17B1 (0.61) HSD17B1HSD17B2ADORA2AADORA1CYP1A2
SCHEMBL3059303 0.82 MKNK1 (0.57) HSD17B1HSD17B2FYNMKNK1MKNK2
SCHEMBL15349707 0.81 PRKCI (0.51) FYNPRKCICDK8
SCHEMBL16675781 0.81 FYN (0.46) HSD17B1HSD17B2FYNPRKCICDK8
SCHEMBL31689010 0.81 FFAR1 (0.56) HSD17B1HSD17B2MKNK1MKNK2CTSA
SCHEMBL29462100 0.81 FYN (0.49) HSD17B1HSD17B2FYNPRKCICDK8
SCHEMBL16675784 0.81 FYN (0.49) HSD17B1HSD17B2FYNPRKCICDK8
SCHEMBL10093217 0.80 PRKCI (0.53) FYNPRKCICDK8MKNK1MKNK2
SCHEMBL5673332 0.80 HSD17B1 (0.97) HSD17B1HSD17B2FYNADORA2AADORA1
SCHEMBL13680810 0.79 HSD17B1 (0.53) HSD17B1HSD17B2ADORA2AADORA1CYP1A2

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 HSD17B1 1901/4885HSD17B2 2208/4885FYN 1063/4885

“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.