SCHEMBL3733390

SCHEMBL3733390

CCS(=O)(=O)N1CCN(Cc2cc(C)cc(CNC(=O)Nc3ccc(C)nc3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 18/20 0.49
CYP2C9 P11712 2/20 0.44
KDM4E B2RXH2 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42

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
SCHEMBL3731080 0.93 NAMPT (0.48) NAMPTKDM4EPIK3CDPIK3R1PIK3CA
SCHEMBL3734204 0.91 NAMPT (0.49) NAMPTCYP2C9
SCHEMBL3733465 0.90 NAMPT (0.47) NAMPTCYP2C9PIK3CDPIK3R1PIK3CA
SCHEMBL3739034 0.87 NAMPT (0.44) NAMPTCYP2C9
SCHEMBL3734772 0.86 NAMPT (0.47) NAMPTKDM4EPIK3CDPIK3R1PIK3CA
SCHEMBL3732427 0.85 NAMPT (0.48) NAMPTKDM4EPIK3CDPIK3R1PIK3CA
SCHEMBL3738611 0.85 NAMPT (0.50) NAMPT
SCHEMBL3743486 0.84 NAMPT (0.49) NAMPT
SCHEMBL3731821 0.84 NAMPT (0.51) NAMPT
SCHEMBL3733024 0.84 NAMPT (0.47) NAMPTKDM4EPIK3CDPIK3R1PIK3CA

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 4516/4885KDM4E 2547/4885

“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.