SCHEMBL3733007

SCHEMBL3733007

CCS(=O)(=O)N1CCN(Cc2ccc(F)c(CNC(=O)Nc3cnc(C)nc3)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.41
KDM4E B2RXH2 4/20 0.41
CHRNA7 P36544 1/20 0.39
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 1/20 0.39
SCN1A P35498 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PIK3CA P42336 2/20 0.38
MTOR P42345 2/20 0.38
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3733024 0.91 NAMPT (0.47) NAMPTKDM4ECYP2D6PKMCYP2C19
SCHEMBL3738408 0.90 KDM4E (0.43) NAMPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL4237349 0.88 NAMPT (0.41) NAMPTKDM4ECYP2D6PKMCYP2C19
SCHEMBL3726868 0.87 NAMPT (0.45) NAMPTALDH1A1LMNAPIK3CAMTOR
SCHEMBL3735778 0.86 ALDH1A1 (0.48) NAMPTKDM4ECHRNA7ALDH1A1
SCHEMBL4241314 0.86 NAMPT (0.49) NAMPTKDM4E
SCHEMBL3732488 0.86 NAMPT (0.44) NAMPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL3743486 0.84 NAMPT (0.49) NAMPT
SCHEMBL3738335 0.84 PIK3CA (0.47) NAMPTKDM4EALDH1A1PIK3CAMTOR
SCHEMBL3732427 0.82 NAMPT (0.48) NAMPTKDM4EPIK3CA

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 NAMPT 3645/4885KDM4E 2547/4885CHRNA7 2412/4885

“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.