SCHEMBL16675860

SCHEMBL16675860

N#Cc1cccc(-c2nccc(CO)n2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK4 Q9HAZ1 12/20 0.62
▸ CYP1A2 P05177 9/20 0.55
▸ CYP3A4 P08684 9/20 0.55
▸ CYP2C19 P33261 8/20 0.55
▸ CYP2D6 P10635 7/20 0.55
▸ LMNA P02545 4/20 0.55
▸ ALDH1A1 P00352 7/20 0.53
▸ MAPK1 P28482 5/20 0.53
▸ ALOX15 P16050 3/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ DYRK1A Q13627 2/20 0.52
▸ USP2 O75604 4/20 0.51
▸ TP53 P04637 3/20 0.51
▸ TSHR P16473 3/20 0.51
▸ CYP2C9 P11712 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ GLA P06280 1/20 0.46
▸ CTSS P25774 1/20 0.45
▸ CTSK P43235 1/20 0.45

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
SCHEMBL30298952 0.82 ABCG2 (0.47) CLK4CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL8363961 0.78 CLK4 (0.68) CLK4CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL7958916 0.76 TRPV3 (0.45) CLK4CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL20745959 0.75 GRIN1 (0.47) —
SCHEMBL29979273 0.75 EGLN2 (0.44) CLK4
SCHEMBL29978988 0.75 EGLN2 (0.44) —
SCHEMBL2476819 0.74 CLK4 (0.71) CLK4CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL29978662 0.73 CTSA (0.41) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL11938358 0.72 CLK4 (0.69) CLK4CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL23167158 0.72 CTSS (0.44) CYP1A2CYP3A4CYP2C19CYP2D6LMNA

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 CLK4 2147/4885CYP1A2 388/4885CYP3A4 18/4885

“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.

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