SCHEMBL3733465

SCHEMBL3733465

Cc1cc(CNC(=O)Nc2ccc(C)nc2)cc(CN2CCN(S(=O)(=O)N(C)C)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 14/20 0.47
CYP2C9 P11712 1/20 0.43
PIK3CA P42336 3/20 0.42
PIK3CD O00329 2/20 0.42
PIK3CB P42338 2/20 0.42
PIK3CG P48736 2/20 0.42
PIK3R1 P27986 1/20 0.40
ICAM1 P05362 1/20 0.40
MCHR1 Q99705 1/20 0.39

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
SCHEMBL3738813 0.93 NAMPT (0.46) NAMPTPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3734785 0.91 NAMPT (0.47) NAMPTPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3731650 0.91 NAMPT (0.52) NAMPTPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3733390 0.90 NAMPT (0.49) NAMPTCYP2C9PIK3CAPIK3CDPIK3CB
SCHEMBL3731787 0.87 NAMPT (0.45) NAMPTPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3731366 0.86 NAMPT (0.48) NAMPTPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3734293 0.84 NAMPT (0.45) NAMPTPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3733687 0.84 NAMPT (0.49) NAMPTICAM1MCHR1
SCHEMBL3741303 0.84 NAMPT (0.47) NAMPTPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3734029 0.84 NAMPT (0.47) NAMPT

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 NAMPT 3645/4885CYP2C9 4516/4885PIK3CA 4067/4885

“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.