SCHEMBL16675832

SCHEMBL16675832

OCc1cc(F)cc(-c2ncc(F)cc2F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
GRM5 P41594 1/20 0.39
GABRG2 P18507 6/20 0.35
GABRB3 P28472 6/20 0.35
GABRA5 P31644 6/20 0.35
GABRA3 P34903 6/20 0.35
GABRA1 P14867 3/20 0.35
GABRA2 P47869 2/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
F2RL3 Q96RI0 1/20 0.34
TLR7 Q9NYK1 3/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 1/20 0.33
CYP17A1 P05093 1/20 0.32
CYP21A2 P08686 1/20 0.32
AGBL2 Q5U5Z8 1/20 0.32
SYK P43405 1/20 0.31
FYN P06241 1/20 0.31

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
SCHEMBL16675766 0.81 PRKCI (0.46) CHRNB4CHRNA3SYKFYNMAP2K4
SCHEMBL17535499 0.71 SSTR5 (0.39) CYP4F2CYP4A11TLR7AGBL2
SCHEMBL15624387 0.71 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL15637448 0.69 GABRG2 (0.39) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL16634845 0.69 TRPA1 (0.45) CHRNB4CHRNA3GRM5CYP4F2CYP4A11
SCHEMBL16959483 0.69 CYP4F2 (0.52) CHRNB4CHRNA3CYP4F2CYP4A11
SCHEMBL108535 0.69 CYP4F2 (0.52) CHRNB4CHRNA3CYP4F2CYP4A11
SCHEMBL17476785 0.68 GABRG2 (0.38) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL15421639 0.68 GABRG2 (0.38) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL12987576 0.68 GABRG2 (0.44) GABRG2GABRB3GABRA5GABRA3GABRA1

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 CHRNB4 1483/4885CHRNA3 1250/4885GRM5 1859/4885

“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.