SCHEMBL3738136

SCHEMBL3738136

Cc1ccc(NC(=O)NCc2cc(CN3CCN(C(=O)OC(C)(C)C)CC3)ccn2)cn1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 2/20 0.47
TBK1 Q9UHD2 15/20 0.46
CCNK O75909 1/20 0.44
CDK12 Q9NYV4 1/20 0.44
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
NAMPT P43490 1/20 0.43
IKBKE Q14164 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
SCHEMBL3733689 0.89 GLS (0.48) WNT3ATBK1CCNKCDK12MEN1
SCHEMBL3738423 0.87 NAMPT (0.43) KMT2ANAMPT
SCHEMBL3728897 0.87 KDR (0.47) WNT3AMEN1KMT2ANAMPT
SCHEMBL3734324 0.86 MEN1 (0.44) WNT3ATBK1CCNKCDK12MEN1
SCHEMBL3735920 0.86 TBK1 (0.45) WNT3ATBK1CCNKCDK12MEN1
SCHEMBL3734772 0.82 NAMPT (0.47) MEN1KMT2ASMN1; SMN2NAMPT
SCHEMBL399180 0.81 TBK1 (0.46) WNT3ATBK1CCNKCDK12MEN1
SCHEMBL7859141 0.81 MEN1 (0.45) WNT3ATBK1CCNKCDK12MEN1
SCHEMBL3739068 0.80 EPHX2 (0.47) WNT3AMEN1MAPTTSHRKMT2A
SCHEMBL3731787 0.80 NAMPT (0.45) MEN1KMT2ASMN1; SMN2NAMPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 WNT3A 4128/4885TBK1 2626/4885CCNK 1392/4885

“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.