SCHEMBL3744307

SCHEMBL3744307

COC(=O)N1CCN(Cc2cc(CNC(=O)Nc3ccc(C)nc3)ccc2OC(F)F)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.40
RORC P51449 1/20 0.40
MAPK1 P28482 5/20 0.39
CCR5 P51681 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
EPHX2 P34913 1/20 0.37
GPR6 P46095 1/20 0.37
ROCK2 O75116 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CCR3 P51677 1/20 0.36

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
SCHEMBL3726790 0.94 ALDH1A1 (0.41) NAMPTRORCMAPK1L3MBTL1
SCHEMBL3738588 0.94 MAPK1 (0.41) NAMPTRORCMAPK1PIK3CDPIK3CA
SCHEMBL3731840 0.88 MAPK1 (0.40) NAMPTRORCMAPK1EPHX2
SCHEMBL3736975 0.88 NAMPT (0.45) NAMPTRORCMAPK1CCR5
SCHEMBL3731157 0.88 NAMPT (0.45) NAMPTRORCMAPK1CCR5PIK3CD
SCHEMBL3736336 0.88 NAMPT (0.43) NAMPTCCR5PIK3CDPIK3CAPIK3CB
SCHEMBL3733714 0.87 NAMPT (0.44) NAMPTPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL3738865 0.86 NAMPT (0.45) NAMPTMAPK1PIK3CDPIK3CAPIK3CB
SCHEMBL3742347 0.82 FAAH (0.41) NAMPTMAPK1PIK3CDPIK3CAPIK3CB
SCHEMBL3746384 0.82 PIK3CA (0.42) NAMPTPIK3CDPIK3CAPIK3CBMTOR

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-20090247544-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2009-10-01 US claimed
EP-1959947-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP claimed
US-20070197505-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US claimed
WO-2007075377-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-07-05 WO claimed
US-7825120-B2 Certain substituted ((piperazin-1-ylmethyl)benzyl)ureas CYTOKINETICS, INC. (US) 2010-11-02 US disclosed
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2009-10-01 US disclosed
EP-1959963-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
EP-1959947-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
US-20070197505-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
WO-2007075377-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-07-05 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 (3 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-20070197505-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 NAMPT 2884/4885RORC 2707/4885MAPK1 3094/4885
US-20070197504-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 NAMPT 3645/4885RORC 2972/4885MAPK1 3229/4885
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 NAMPT 2884/4885RORC 2707/4885MAPK1 3094/4885

“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.