SCHEMBL16675755

SCHEMBL16675755

OCc1cccc(-c2ccc3nsnc3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.53
ACMSD Q8TDX5 1/20 0.45
PTPN11 Q06124 2/20 0.43
PTPN1 P18031 1/20 0.43
MAP4K4 O95819 1/20 0.43
TGFBR1 P36897 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
FGFR1 P11362 1/20 0.42
CDK8 P49336 1/20 0.41
LIMK1 P53667 1/20 0.41
PTGES O14684 2/20 0.41
FYN P06241 3/20 0.41
MAP2K4 P45985 1/20 0.40
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
CYP2C9 P11712 1/20 0.40
NR4A2 P43354 1/20 0.40
KCNH2 Q12809 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
SCHEMBL5262949 0.80 PTPN11 (0.48) PTPN11PTPN1
SCHEMBL3858998 0.78 PTPN11 (0.58) PTPN11PTPN1TDO2
SCHEMBL4191589 0.78 PRKCI (0.72) PRKCIACMSDCHRNB4CHRNA3CHRNA7
SCHEMBL18297788 0.75 PRKCI (0.76) PRKCIACMSDCHRNB4CHRNA3CHRNA7
SCHEMBL16578698 0.74 PRKCI (0.68) PRKCIACMSDCHRNB4CHRNA3CHRNA7
SCHEMBL23750141 0.73 PRKCI (0.67) PRKCIACMSDCHRNB4CHRNA3CHRNA7
SCHEMBL30108284 0.72 PRKCI (0.70) PRKCIACMSDCHRNB4CHRNA3CHRNA7
SCHEMBL249824 0.72 PRKCI (0.70) PRKCIACMSDCHRNB4CHRNA3CHRNA7
SCHEMBL8476599 0.71 ESR1 (0.64) PRKCIACMSDFGFR1CYP2C9
SCHEMBL23750160 0.71 PRKCI (0.63) PRKCIACMSDCHRNB4CHRNA3CHRNA7

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 3236/4885ACMSD 3589/4885PTPN11 533/4885

“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.