SCHEMBL3733287

SCHEMBL3733287

Cc1ccc(NC(=O)NCc2cc(CN3CCN(C(=O)N(C)C)CC3)ccc2F)cn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.41
PIK3CA P42336 4/20 0.41
NAMPT P43490 3/20 0.41
MTOR P42345 2/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
CHRNA7 P36544 1/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KDR P35968 1/20 0.39
LTA4H P09960 1/20 0.38
CHRM1 P11229 1/20 0.38
HTR2A P28223 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL3732279 0.93 NAMPT (0.43) FAAHPIK3CANAMPTMTORPIK3CD
SCHEMBL3728465 0.91 MEN1 (0.43) FAAHNAMPTCHRNA7KCNQ3KCNQ2
SCHEMBL3742347 0.90 FAAH (0.41) FAAHPIK3CANAMPTMTORPIK3CD
SCHEMBL3731138 0.89 CYP2C9 (0.48) FAAHNAMPT
SCHEMBL3732394 0.89 FAAH (0.41) FAAHNAMPTCHRNA7KCNQ3KCNQ2
SCHEMBL3744319 0.89 ALDH1A1 (0.47) FAAHNAMPT
SCHEMBL3728967 0.88 NAMPT (0.41) FAAHNAMPTCHRNA7KCNQ3KCNQ2
SCHEMBL3734293 0.87 NAMPT (0.45) PIK3CANAMPTPIK3CDPIK3CBPIK3CG
SCHEMBL4718995 0.87 NAMPT (0.41) FAAHNAMPTCHRNA7KCNQ3KCNQ2
SCHEMBL3735920 0.86 TBK1 (0.45) FAAHNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825120-B2 Certain substituted ((piperazin-1-ylmethyl)benzyl)ureas CYTOKINETICS, INC. (US) 2010-11-02 US claimed
EP-1959963-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP claimed
US-20070197504-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US claimed
WO-2007089336-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-08-09 WO claimed
US-7825120-B2 Certain substituted ((piperazin-1-ylmethyl)benzyl)ureas CYTOKINETICS, INC. (US) 2010-11-02 US disclosed
EP-1959963-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
US-20070197504-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US disclosed
WO-2007089336-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-08-09 WO 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-20070197504-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 FAAH 4811/4885PIK3CA 4067/4885NAMPT 3645/4885

“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.