SCHEMBL3746384

SCHEMBL3746384

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.42
MTOR P42345 2/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
NAMPT P43490 2/20 0.42
FAAH O00519 7/20 0.42
ABL1 P00519 1/20 0.40
KIT P10721 1/20 0.40
BCR P11274 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 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
SCHEMBL3742929 0.94 LMNA (0.45) NAMPTFAAHABL1NPC1RAB9A
SCHEMBL3733714 0.93 NAMPT (0.44) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3738760 0.91 NAMPT (0.42) NAMPTFAAHABL1KITBCR
SCHEMBL3731440 0.91 NAMPT (0.43) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3742347 0.91 FAAH (0.41) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3736931 0.91 MEN1 (0.44) NAMPTFAAHABL1KITBCR
SCHEMBL3738762 0.91 LMNA (0.40) NAMPTFAAHHTTMEN1KMT2A
SCHEMBL4237480 0.89 NAMPT (0.42) NAMPTFAAHABL1KITBCR
SCHEMBL3738588 0.87 MAPK1 (0.41) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3739030 0.87 CYP3A4 (0.44) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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 6 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-20070197504-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US 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 PIK3CA 4067/4885MTOR 1762/4885PIK3CD 2975/4885

“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.