SCHEMBL9923201

SCHEMBL9923201

Cc1nc2cc(NCCN3CCCCC3)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.46
TERT O14746 7/20 0.40
KCNH2 Q12809 4/20 0.39
HRH3 Q9Y5N1 4/20 0.39
PSEN1 P49768 3/20 0.36
PSEN2 P49810 3/20 0.36
APH1B Q8WW43 3/20 0.36
NCSTN Q92542 3/20 0.36
APH1A Q96BI3 3/20 0.36
PSENEN Q9NZ42 3/20 0.36
EGFR P00533 1/20 0.36
EPHX2 P34913 1/20 0.35
POT1 Q9NUX5 1/20 0.35

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
SCHEMBL9923208 0.99 P2RY12 (0.47) P2RY12TERTKCNH2HRH3PSEN1
SCHEMBL9922735 0.96 P2RY12 (0.44) P2RY12TERTKCNH2HRH3PSEN1
SCHEMBL9922737 0.95 P2RY12 (0.44) P2RY12TERTKCNH2HRH3PSEN1
SCHEMBL9923212 0.93 P2RY12 (0.45) P2RY12PSEN1PSEN2APH1BNCSTN
SCHEMBL13638561 0.93 KCNH2 (0.41) P2RY12TERTKCNH2HRH3POT1
SCHEMBL9922949 0.91 P2RY12 (0.51) P2RY12TERTKCNH2HRH3EGFR
SCHEMBL12161445 0.90 P2RY12 (0.51) P2RY12TERTKCNH2HRH3EGFR
SCHEMBL13638587 0.90 HRH3 (0.41) P2RY12TERTKCNH2HRH3POT1
SCHEMBL9922169 0.90 KMT2A (0.44) P2RY12PSEN1PSEN2APH1BNCSTN
SCHEMBL9923240 0.90 P2RY12 (0.48) P2RY12

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524721-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2013-09-03 US disclosed
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-8067428-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-8067428-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
US-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2008-08-14 US disclosed
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2008-08-14 US disclosed
US-7358257-B2 sulfonylurea derivatives, sulfonylthiourea derivatives, sulfonylguanidine derivatives, sulfonylcyanoguanidine derivatives, thioacylsulfonamide derivatives, and acylsulfonamide derivatives; effective for prevention and treatment of cardiovascular diseases, antithrombotic agents PORTOLA PHARMACEUTICALS, INC. (US) 2008-04-15 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 (3 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-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 P2RY12 19/4885TERT 2603/4885KCNH2 1036/4885
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PIGS, GP6, ASGR1 P2RY12 89/4885TERT 2357/4885KCNH2 685/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 P2RY12 18/4885TERT 2585/4885KCNH2 1064/4885

“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.