SCHEMBL16675786

SCHEMBL16675786

OCc1cccc(-c2ccc(Cl)nc2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.53
CDK8 P49336 1/20 0.51
CYP2A6 P11509 1/20 0.50
FYN P06241 6/20 0.46
CYP2C9 P11712 1/20 0.46
NR4A2 P43354 1/20 0.46
KCNH2 Q12809 1/20 0.46
ACMSD Q8TDX5 1/20 0.45
RECQL P46063 1/20 0.44
PIK3CD O00329 1/20 0.44
MAP2K4 P45985 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
ABL1 P00519 1/20 0.43
CHEK1 O14757 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 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
SCHEMBL12523764 0.83 PRKCI (0.56) PRKCICDK8FYNCYP2C9NR4A2
SCHEMBL16675833 0.80 CYP2A6 (0.50) CDK8CYP2A6RECQLPIK3CDNPC1
SCHEMBL3410543 0.80 MAP4K4 (0.62) PRKCICDK8FYNKCNH2ACMSD
SCHEMBL10093217 0.80 PRKCI (0.53) PRKCICDK8FYNACMSDMAP2K4
SCHEMBL16675747 0.80 PRKCI (0.53) PRKCICDK8CYP2A6FYNCYP2C9
SCHEMBL4191589 0.78 PRKCI (0.72) PRKCICDK8FYNCYP2C9NR4A2
SCHEMBL5671117 0.77 HSD17B1 (0.66) CYP2A6CYP2C9PIK3CD
SCHEMBL11147920 0.77 PRKCI (0.61) PRKCICYP2C9NR4A2KCNH2ACMSD
SCHEMBL11172794 0.77 CYP2A6 (0.58) CYP2A6PIK3CDNPC1RAB9A
SCHEMBL16675750 0.76 CHEK1 (0.60) PRKCICDK8FYNKCNH2ACMSD

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 605/4885CYP2A6 1050/4885

“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.