SCHEMBL397384

SCHEMBL397384

CN(C)S(=O)(=O)N(C)C1CCCN(Cc2cc(F)cc(NC(=O)Nc3cccnc3)c2)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
NAMPT P43490 3/20 0.47
TAAR1 Q96RJ0 1/20 0.42
FAAH O00519 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CACNA1G O43497 3/20 0.39
CACNA1H O95180 3/20 0.39
CACNA1I Q9P0X4 3/20 0.39
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
UBE2M P61081 2/20 0.38
DCUN1D1 Q96GG9 2/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL397383 1.00 CYP1A2 (0.54) CYP1A2NAMPTTAAR1FAAHL3MBTL1
SCHEMBL436307 0.95 CYP1A2 (0.56) CYP1A2NAMPTTAAR1FAAHL3MBTL1
SCHEMBL401761 0.90 CYP1A2 (0.55) CYP1A2NAMPTTAAR1FAAHL3MBTL1
SCHEMBL403383 0.89 CYP1A2 (0.43) CYP1A2NAMPT
SCHEMBL403382 0.89 CYP1A2 (0.43) CYP1A2NAMPT
SCHEMBL402888 0.87 CYP1A2 (0.52) CYP1A2NAMPTTAAR1CACNA1GCACNA1H
SCHEMBL402335 0.84 CYP1A2 (0.45) CYP1A2
SCHEMBL401885 0.83 CYP1A2 (0.36) CYP1A2
SCHEMBL400588 0.83 CYP1A2 (0.52) CYP1A2NAMPTTAAR1FAAHL3MBTL1
SCHEMBL401479 0.82 CYP1A2 (0.51) CYP1A2NAMPTTAAR1FAAHHTR1A

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2015-01-01 US claimed
US-8110595-B2 Ureas and their use in the treatment of heart failure CYTOKINETICS, INC. (US) 2012-02-07 US claimed
US-20090036447-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. (US) 2009-02-05 US claimed
US-9150564-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2015-10-06 US disclosed
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2015-01-01 US disclosed
US-8871769-B2 Ureas and their use in the treatment of heart failure CYTOKINETICS, INC. (US) 2014-10-28 US disclosed
US-8871768-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2014-10-28 US disclosed
US-20140038983-A1 UREAS AND THEIR USE IN THE TREATMENT OF HEART FAILURE CYTOKINETICS, INCORPORATED (US) 2014-02-06 US disclosed
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2013-12-05 US disclosed
US-8513257-B2 Ureas and their use in the treatment of heart failure CYTOKINETICS, INCORPORATED (US) 2013-08-20 US disclosed
US-8445495-B2 Certain Chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2013-05-21 US disclosed
US-20120172372-A1 Ureas and Their Use in the Treatment of Heart Failure CYTOKINETICS, INC. 2012-07-05 US disclosed
US-8110595-B2 Ureas and their use in the treatment of heart failure CYTOKINETICS, INC. (US) 2012-02-07 US disclosed
US-8101617-B2 Disubstituted ureas and uses thereof in treating heart failure AMGEN, INC. (US) 2012-01-24 US disclosed
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-02-04 US disclosed
US-20090099198-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-04-16 US disclosed
US-20090036447-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. (US) 2009-02-05 US 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 (7 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-20120172372-A1 Ureas and Their Use in the Treatment of Heart Failure TNNI3, TNNT2, MYLK2 CYP1A2 3816/4885NAMPT 3070/4885TAAR1 4240/4885
US-20090099198-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 CYP1A2 4662/4885NAMPT 3383/4885TAAR1 4657/4885
US-20140038983-A1 UREAS AND THEIR USE IN THE TREATMENT OF HEART FAILURE TNNI3, TNNT2, MYLK2 CYP1A2 3816/4885NAMPT 3070/4885TAAR1 4240/4885
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 CYP1A2 4662/4885NAMPT 3383/4885TAAR1 4657/4885
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNI3, TNNT2, MYLK2 CYP1A2 4402/4885NAMPT 3645/4885TAAR1 4458/4885
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 CYP1A2 4402/4885NAMPT 3645/4885TAAR1 4458/4885
US-20090036447-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 CYP1A2 4662/4885NAMPT 3383/4885TAAR1 4657/4885

“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.