SCHEMBL3731366

SCHEMBL3731366

Cc1ccc(NC(=O)NCc2ccc(C)c(CN3CCN(S(=O)(=O)N(C)C)CC3)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 14/20 0.48
ICAM1 P05362 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 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
SCHEMBL3733687 0.92 NAMPT (0.49) NAMPTICAM1DDB1CRBN
SCHEMBL3741303 0.92 NAMPT (0.47) NAMPTICAM1PIK3CDPIK3CAPIK3CB
SCHEMBL3738611 0.90 NAMPT (0.50) NAMPTMEN1KMT2ADDB1CRBN
SCHEMBL3731650 0.89 NAMPT (0.52) NAMPTICAM1PIK3CDPIK3CAPIK3CB
SCHEMBL3734785 0.88 NAMPT (0.47) NAMPTPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3734293 0.86 NAMPT (0.45) NAMPTICAM1PIK3CDPIK3CAPIK3CB
SCHEMBL3733465 0.86 NAMPT (0.47) NAMPTICAM1PIK3CDPIK3CAPIK3CB
SCHEMBL3736394 0.85 NAMPT (0.45) NAMPTMEN1KMT2ADDB1CRBN
SCHEMBL4760966 0.85 NAMPT (0.46) NAMPTMEN1KMT2ADDB1CRBN
SCHEMBL3738813 0.84 NAMPT (0.46) NAMPTPIK3CDPIK3CAPIK3CBPIK3CG

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 16 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
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2009-10-01 US claimed
EP-1959947-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP claimed
EP-1959963-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP claimed
US-20070197505-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US 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
WO-2007075377-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-07-05 WO claimed
US-7825120-B2 Certain substituted ((piperazin-1-ylmethyl)benzyl)ureas CYTOKINETICS, INC. (US) 2010-11-02 US disclosed
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2009-10-01 US disclosed
EP-1959963-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
EP-1959947-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
US-20070197505-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US 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
WO-2007075377-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-07-05 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 (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-20070197505-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 NAMPT 2884/4885ICAM1 2076/4885MEN1 4493/4885
US-20070197504-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 NAMPT 3645/4885ICAM1 2340/4885MEN1 4319/4885
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 NAMPT 2884/4885ICAM1 2076/4885MEN1 4493/4885

“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.