SCHEMBL3731381

SCHEMBL3731381

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.45
DDB1 Q16531 2/20 0.41
CRBN Q96SW2 2/20 0.41
AURKA O14965 1/20 0.40
DYRK3 O43781 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKD3 O94806 1/20 0.40
PRKCG P05129 1/20 0.40
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40
MARK3 P27448 1/20 0.40
MAPK1 P28482 1/20 0.40
AKT1 P31749 1/20 0.40
CSNK1D P48730 1/20 0.40
CLK2 P49760 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
RPS6KA3 P51812 1/20 0.40
PRKX P51817 1/20 0.40
LIMK1 P53667 1/20 0.40

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
SCHEMBL3737941 0.91 NAMPT (0.46) NAMPTDDB1CRBNAURKADYRK3
SCHEMBL3732279 0.90 NAMPT (0.43) NAMPTCHRM1HTR2AMCHR1KMT2A
SCHEMBL3738865 0.90 NAMPT (0.45) NAMPTDDB1CRBNAURKADYRK3
SCHEMBL3733687 0.87 NAMPT (0.49) NAMPTDDB1CRBNMCHR1LMNA
SCHEMBL3731821 0.86 NAMPT (0.51) NAMPTDDB1CRBN
SCHEMBL3737929 0.86 NAMPT (0.45) NAMPTDDB1CRBNAURKADYRK3
SCHEMBL3733287 0.84 FAAH (0.41) NAMPTCHRM1HTR2AMCHR1PIK3CD
SCHEMBL4721274 0.84 FAAH (0.44) NAMPTMAPK1CHRM1HTR2AMCHR1
SCHEMBL3731440 0.82 NAMPT (0.43) NAMPTCHRM1HTR2AMCHR1NPSR1
SCHEMBL3736394 0.82 NAMPT (0.45) NAMPTDDB1CRBNMAPTMEN1

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 3645/4885DDB1 1258/4885CRBN 664/4885

“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.