SCHEMBL9919017

SCHEMBL9919017

CNc1cc2[nH]c(=O)n(C)c(=O)c2cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 3/20 0.45
ADORA3 P0DMS8 2/20 0.45
ADORA2A P29274 2/20 0.45
ADORA1 P30542 1/20 0.45
PARG Q86W56 2/20 0.43
BRD4 O60885 1/20 0.39
IMPDH2 P12268 1/20 0.38
HTR3A P46098 1/20 0.36
LMNA P02545 3/20 0.34
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
DDR1 Q08345 1/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
PABPC1 P11940 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL9922459 0.82 PARG (0.46) ADORA2BADORA3ADORA2AADORA1PARG
SCHEMBL9919021 0.82 CA12 (0.46) ADORA2BADORA3ADORA2AADORA1PARG
SCHEMBL13633668 0.74 PDE3B (0.32) PDE3BPDE3A
SCHEMBL3376884 0.72 ADORA3 (0.61) ADORA2BADORA3ADORA2AADORA1HTR3A
SCHEMBL30581043 0.72 ADORA3 (0.61) ADORA2BADORA3ADORA2AADORA1HTR3A
SCHEMBL9923035 0.72 ADORA3 (0.56) ADORA2BADORA3ADORA2AADORA1PARG
SCHEMBL9919008 0.71 ADORA3 (0.64) ADORA2BADORA3ADORA2AADORA1PARG
SCHEMBL31709875 0.71 ADORA3 (0.64) ADORA2BADORA3ADORA2AADORA1PARG
SCHEMBL15680590 0.70 ADORA3 (0.53) ADORA2BADORA3ADORA2AADORA1PARG
SCHEMBL9919084 0.69 PARG (0.41) PARGMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2314593-B1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARM INC (US) 2016-05-04 EP disclosed
US-20140221405-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2014-08-07 US disclosed
US-8524721-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2013-09-03 US disclosed
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-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 (4 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 ADORA2B 51/4885ADORA3 88/4885ADORA2A 42/4885
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PIGS, GP6, ASGR1 ADORA2B 21/4885ADORA3 32/4885ADORA2A 18/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 ADORA2B 50/4885ADORA3 83/4885ADORA2A 41/4885
US-20140221405-A1 PLATELET ADP RECEPTOR INHIBITORS PTAFR, ADGRF1, P2RY6 ADORA2B 15/4885ADORA3 20/4885ADORA2A 12/4885

“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.