SCHEMBL16675770

SCHEMBL16675770

N#Cc1ccc(-c2cccc(CO)c2)nc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FYN P06241 10/20 0.52
CYP11B1 P15538 2/20 0.50
CYP11B2 P19099 1/20 0.50
GRM5 P41594 1/20 0.49
ATR Q13535 1/20 0.44
CHEK1 O14757 1/20 0.44
KDM1A O60341 1/20 0.44
PRKCI P41743 1/20 0.44
CDK8 P49336 1/20 0.44

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
SCHEMBL29818872 0.81 KDM4E (0.54) FYNCYP11B1CYP11B2GRM5KDM1A
SCHEMBL8019866 0.81 KDM4E (0.54) FYNCYP11B1CYP11B2GRM5KDM1A
SCHEMBL17117019 0.81 KDM1A (0.50) CYP11B1GRM5KDM1A
SCHEMBL21228122 0.80 HSD17B1 (0.63) FYNCYP11B1CYP11B2GRM5KDM1A
SCHEMBL29914678 0.80 HSD17B1 (0.63) FYNCYP11B1CYP11B2GRM5KDM1A
SCHEMBL16675775 0.79 CHEK1 (0.53) FYNCYP11B1CYP11B2ATRCHEK1
SCHEMBL16675765 0.78 PRKCI (0.56) CYP11B1CYP11B2CHEK1PRKCI
SCHEMBL19231297 0.77 KDM1A (0.50) CYP11B1CYP11B2GRM5KDM1A
SCHEMBL16675751 0.77 FYN (0.52) FYNGRM5CHEK1PRKCICDK8
SCHEMBL1579065 0.77 FYN (0.52) FYNCHEK1PRKCICDK8

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 1063/4885CYP11B1 1166/4885CYP11B2 1370/4885

“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.