SCHEMBL3733024

SCHEMBL3733024

CCS(=O)(=O)N1CCN(Cc2ccc(F)c(CNC(=O)Nc3ccc(C)nc3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 14/20 0.47
TRPV1 Q8NER1 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
CYP2D6 P10635 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL3732488 0.95 NAMPT (0.44) NAMPTTRPV1PIK3CDPIK3R1PIK3CA
SCHEMBL3738335 0.93 PIK3CA (0.47) NAMPTTRPV1PIK3CDPIK3R1PIK3CA
SCHEMBL3743486 0.93 NAMPT (0.49) NAMPTTRPV1
SCHEMBL3733007 0.91 NAMPT (0.41) NAMPTPIK3CACYP2D6PKMCYP2C19
SCHEMBL3732427 0.91 NAMPT (0.48) NAMPTPIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL3742331 0.91 NAMPT (0.45) NAMPTTRPV1PIK3CDPIK3R1PIK3CA
SCHEMBL3734293 0.91 NAMPT (0.45) NAMPTTRPV1PIK3CDPIK3R1PIK3CA
SCHEMBL4237349 0.90 NAMPT (0.41) NAMPTCYP2D6PKMCYP2C19KDM4E
SCHEMBL3199773 0.90 NAMPT (0.49) NAMPTPIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL3726868 0.89 NAMPT (0.45) NAMPTPIK3CDPIK3R1PIK3CAPIK3CB

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 14 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-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
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 2884/4885TRPV1 2813/4885PIK3CD 2476/4885
US-20070197504-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 NAMPT 3645/4885TRPV1 2934/4885PIK3CD 2975/4885
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 NAMPT 2884/4885TRPV1 2813/4885PIK3CD 2476/4885

“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.