SCHEMBL3733689

SCHEMBL3733689

Cc1ccc(NC(=O)NCc2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.48
EPHX2 P34913 5/20 0.45
ROCK2 O75116 1/20 0.45
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
WNT3A P56704 1/20 0.44
NAMPT P43490 2/20 0.44
CCNK O75909 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
ACKR3 P25106 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
TBK1 Q9UHD2 2/20 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
SCHEMBL3739068 0.91 EPHX2 (0.47) GLSEPHX2MEN1MAPTTSHR
SCHEMBL3739030 0.91 CYP3A4 (0.44) ROCK2NAMPTACKR3
SCHEMBL3738136 0.89 WNT3A (0.47) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL3739306 0.87 CHRM3 (0.47) ROCK2MEN1KMT2ANAMPTACKR3
SCHEMBL3734324 0.86 MEN1 (0.44) EPHX2MEN1MAPTTSHRKMT2A
SCHEMBL3735920 0.86 TBK1 (0.45) GLSEPHX2MEN1MAPTTSHR
SCHEMBL3731076 0.85 CCNK (0.42) GLSEPHX2ROCK2MEN1MAPT
SCHEMBL3731078 0.85 CCNK (0.42) GLSEPHX2ROCK2MEN1MAPT
SCHEMBL3744521 0.82 HTR1A (0.46) ROCK2NAMPT
SCHEMBL3734204 0.82 NAMPT (0.49) TSHRNAMPT

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 12 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
US-7825120-B2 Certain substituted ((piperazin-1-ylmethyl)benzyl)ureas CYTOKINETICS, INC. (US) 2010-11-02 US disclosed
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
US-20070197504-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

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 GLS 127/4885EPHX2 3695/4885ROCK2 272/4885

“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.