SCHEMBL3738588

SCHEMBL3738588

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.41
RORC P51449 1/20 0.40
PIK3CA P42336 2/20 0.39
MTOR P42345 2/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
EPHX2 P34913 1/20 0.39
NAMPT P43490 2/20 0.38
FAAH O00519 6/20 0.38
RAB9A P51151 2/20 0.38
GALR3 O60755 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL3731840 0.94 MAPK1 (0.40) MAPK1RORCEPHX2NAMPT
SCHEMBL3744307 0.94 NAMPT (0.40) MAPK1RORCPIK3CAMTORPIK3CD
SCHEMBL3726790 0.88 ALDH1A1 (0.41) MAPK1RORCNAMPTRAB9ANPC1
SCHEMBL3742347 0.88 FAAH (0.41) MAPK1PIK3CAMTORPIK3CDPIK3CB
SCHEMBL3746384 0.87 PIK3CA (0.42) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3731440 0.86 NAMPT (0.43) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3736336 0.82 NAMPT (0.43) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3733714 0.82 NAMPT (0.44) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3739030 0.82 CYP3A4 (0.44) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3744319 0.82 ALDH1A1 (0.47) NAMPTFAAHALOX15

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
US-20070197504-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US 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 MAPK1 3229/4885RORC 2972/4885PIK3CA 4067/4885

“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.