SCHEMBL16675785

SCHEMBL16675785

OCc1cccc(-c2ccnc(F)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.64
CDK8 P49336 1/20 0.46
BRAF P15056 1/20 0.45
MAP2K4 P45985 2/20 0.44
CTSA P10619 1/20 0.43
FYN P06241 3/20 0.43
ACMSD Q8TDX5 1/20 0.43
MAPK14 Q16539 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
FGFR1 P11362 1/20 0.43
RECQL P46063 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
ROCK2 O75116 1/20 0.41
CYP3A4 P08684 1/20 0.41
PRKACA P17612 1/20 0.41
ROCK1 Q13464 1/20 0.41
NPY5R Q15761 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL27876845 0.83 LOXL2 (0.65) PRKCICDK8CTSAMAPK14FGFR1
SCHEMBL16675759 0.79 PRKCI (0.64) PRKCICDK8MAP2K4FYNACMSD
SCHEMBL116309 0.79
SCHEMBL4191589 0.79 PRKCI (0.72) PRKCICDK8MAP2K4FYNACMSD
SCHEMBL12641314 0.78 PRKCI (1.00) PRKCICDK8BRAFMAP2K4FYN
SCHEMBL16675747 0.78 PRKCI (0.53) PRKCICDK8FYNACMSDCHRNB4
SCHEMBL931989 0.77 PRKCI (0.51) PRKCICDK8BRAFMAP2K4FYN
SCHEMBL18297788 0.77 PRKCI (0.76) PRKCICDK8MAP2K4FYNACMSD
SCHEMBL22068158 0.77 IDO1 (0.55) MAPK14LOXL2
SCHEMBL30484235 0.76 PRKCI (0.58) PRKCICDK8FYNACMSDCHRNB4

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 PRKCI 3236/4885CDK8 605/4885BRAF 1414/4885

“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.