SCHEMBL3733894

SCHEMBL3733894

Cc1ccc(NC(=O)NCc2c(F)ccc(CN3CCN(S(=O)(=O)N(C)C)CC3)c2F)cn1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 13/20 0.41
MCHR1 Q99705 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL3736246 0.91 NAMPT (0.43) NAMPTTRPV1KCNQ3KCNQ2ALDH1A1
SCHEMBL3734452 0.91 NAMPT (0.43) NAMPTTRPV1KCNQ3KCNQ2PIK3CD
SCHEMBL3741303 0.87 NAMPT (0.47) NAMPTMCHR1PIK3CDPIK3CAPIK3CB
SCHEMBL3743390 0.85 KCNQ3 (0.39) NAMPTTRPV1KCNQ3KCNQ2ALDH1A1
SCHEMBL3734293 0.85 NAMPT (0.45) NAMPTMCHR1TRPV1KCNQ3KCNQ2
SCHEMBL402925 0.84 ACKR3 (0.42) NAMPTMCHR1KCNQ3KCNQ2PIK3CD
SCHEMBL3730991 0.84 ALDH1A1 (0.40) NAMPTKCNQ3KCNQ2PIK3CDPIK3CA
SCHEMBL3734061 0.83 ALDH1A1 (0.48) NAMPTALDH1A1LMNA
SCHEMBL3731650 0.82 NAMPT (0.52) NAMPTMCHR1PIK3CDPIK3CAPIK3CB
SCHEMBL3738874 0.82 CYP1A2 (0.40) NAMPTMCHR1PIK3CDPIK3CAPIK3CB

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 5 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
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 NAMPT 3645/4885MCHR1 4389/4885TRPV1 2934/4885

“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.