SCHEMBL4241314

SCHEMBL4241314

CCS(=O)(=O)N1CCN(Cc2ccc(F)c(CNC(=O)Nc3ccc(C#N)nc3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.49
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
CHEK1 O14757 10/20 0.41
GRK2 P25098 1/20 0.39
GRK5 P34947 1/20 0.39
KDM4E B2RXH2 1/20 0.37
PRKAA2 P54646 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 0.88 NAMPT (0.47) NAMPTKCNQ3KCNQ2KDM4E
SCHEMBL3731100 0.87 ALDH1A1 (0.43) NAMPTKCNQ3KCNQ2CHEK1GRK2
SCHEMBL4237349 0.87 NAMPT (0.41) NAMPTKDM4EPRKAA2
SCHEMBL3733007 0.86 NAMPT (0.41) NAMPTKDM4E
SCHEMBL3726868 0.86 NAMPT (0.45) NAMPT
SCHEMBL3738408 0.84 KDM4E (0.43) NAMPTKDM4E
SCHEMBL3732488 0.84 NAMPT (0.44) NAMPTKDM4E
SCHEMBL3743486 0.81 NAMPT (0.49) NAMPT
SCHEMBL3738335 0.81 PIK3CA (0.47) NAMPTKDM4E
SCHEMBL3746430 0.80 NAMPT (0.35) NAMPTKCNQ3KCNQ2CHEK1KDM4E

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-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-20090247544-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2009-10-01 US 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
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 (2 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 2884/4885KCNQ3 4642/4885KCNQ2 4428/4885
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 NAMPT 2884/4885KCNQ3 4642/4885KCNQ2 4428/4885

“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.