SCHEMBL9922697

SCHEMBL9922697

CNc1ccc2c(=O)n(C)cc(C(N)=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.48
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
MAP2K1 Q02750 4/20 0.42
MAP2K2 P36507 3/20 0.42
USP2 O75604 1/20 0.39
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL12160636 0.84 BRD4 (0.65) BRD4POLBL3MBTL1USP2KDM4E
SCHEMBL9919096 0.82 BRD4 (0.50) BRD4POLBL3MBTL1MAP2K1MAP2K2
SCHEMBL9922250 0.79 BRD4 (0.54) BRD4POLBL3MBTL1
SCHEMBL9922251 0.76 KDM4E (0.48) BRD4POLBKDM4E
SCHEMBL9922244 0.76 BRD4 (0.51) BRD4L3MBTL1
SCHEMBL9922253 0.75 KDM4E (0.47) BRD4USP2KDM4E
SCHEMBL9922701 0.74 BRD4 (0.49) BRD4L3MBTL1KDM4E
SCHEMBL9922249 0.74 BRD4 (0.49) BRD4POLBL3MBTL1
SCHEMBL9922698 0.72 BRD4 (0.48) BRD4KDM4E
SCHEMBL12160638 0.72 BRD4 (0.48) BRD4

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 7 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-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-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 BRD4 3071/4885POLB 4500/4885L3MBTL1 4542/4885
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PIGS, GP6, ASGR1 BRD4 3757/4885POLB 3614/4885L3MBTL1 3635/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 BRD4 3064/4885POLB 4509/4885L3MBTL1 4538/4885

“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.