SCHEMBL9922700

SCHEMBL9922700

CN(C)c1ccc2c(=O)n(C)cnc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
SYK P43405 3/20 0.44
IP6K1 Q92551 2/20 0.43
KDM4E B2RXH2 4/20 0.42
ELANE P08246 2/20 0.42
TERT O14746 1/20 0.42
APP P05067 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41
THRB P10828 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ACVR1 Q04771 2/20 0.41
BRD9 Q9H8M2 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL7600928 0.78 L3MBTL1 (0.49) L3MBTL1IP6K1KDM4EALDH1A1HPGD
SCHEMBL1500289 0.77 L3MBTL1 (0.48) L3MBTL1IP6K1KDM4EALDH1A1HPGD
SCHEMBL12177224 0.77 L3MBTL1 (0.48) L3MBTL1SYKIP6K1KDM4EALDH1A1
SCHEMBL30186355 0.77 ESR1 (0.62) L3MBTL1SYKIP6K1KDM4EALDH1A1
SCHEMBL5312155 0.77 L3MBTL1 (0.48) L3MBTL1SYKIP6K1KDM4EALDH1A1
SCHEMBL9919057 0.77 F2RL3 (0.51) L3MBTL1IP6K1KDM4EALDH1A1MAPT
SCHEMBL11099227 0.76 ALDH1A1 (0.61) KDM4ETERTAPPALDH1A1HPGD
SCHEMBL9919053 0.75 L3MBTL1 (0.41) L3MBTL1SYKIP6K1KDM4EALDH1A1
SCHEMBL25111597 0.74 L3MBTL1 (0.46) L3MBTL1SYKIP6K1KDM4EALDH1A1
SCHEMBL9922443 0.74 GABRA1 (0.50) L3MBTL1IP6K1KDM4EMAPTKMT2A

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 L3MBTL1 4542/4885SYK 311/4885IP6K1 900/4885
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PIGS, GP6, ASGR1 L3MBTL1 3635/4885SYK 545/4885IP6K1 1018/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 L3MBTL1 4538/4885SYK 292/4885IP6K1 908/4885

“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.