SCHEMBL3743390

SCHEMBL3743390

CC(=O)N1CCN(Cc2ccc(F)c(CNC(=O)Nc3ccc(C)nc3)c2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
NAMPT P43490 3/20 0.38
FPR2 P25090 3/20 0.38
FPR1 P21462 1/20 0.38
AOC3 Q16853 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
FPR3 P25089 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
GPR6 P46095 2/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
MAPK8 P45983 2/20 0.36
MAPK10 P53779 2/20 0.36
TRPV1 Q8NER1 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
SCHEMBL3730991 0.91 ALDH1A1 (0.40) KCNQ3KCNQ2NAMPTFPR2FPR1
SCHEMBL3734061 0.90 ALDH1A1 (0.48) NAMPTALDH1A1POLBMEN1KMT2A
SCHEMBL3731487 0.88 MEN1 (0.42) NAMPTALDH1A1MEN1KMT2A
SCHEMBL3736246 0.88 NAMPT (0.43) KCNQ3KCNQ2NAMPTALDH1A1MEN1
SCHEMBL3734452 0.88 NAMPT (0.43) KCNQ3KCNQ2NAMPTALDH1A1TRPV1
SCHEMBL16198767 0.86 NPSR1 (0.43) KCNQ3KCNQ2FPR2FPR1ALDH1A1
SCHEMBL3734190 0.85 NAMPT (0.44) KCNQ3KCNQ2NAMPTAOC3ALDH1A1
SCHEMBL3733894 0.85 NAMPT (0.41) KCNQ3KCNQ2NAMPTALDH1A1TRPV1
SCHEMBL3728465 0.84 MEN1 (0.43) KCNQ3KCNQ2NAMPTAOC3ALDH1A1
SCHEMBL4237706 0.81 RORC (0.48) FPR2FPR1ALDH1A1POLBMEN1

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 8 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
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 KCNQ3 3060/4885KCNQ2 2435/4885NAMPT 3645/4885

“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.