SCHEMBL4237192

SCHEMBL4237192

COC(=O)N1C(C)CN(Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2F)CC1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.41
MAPK10 P53779 3/20 0.41
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
HTT P42858 1/20 0.40
CCR3 P51677 4/20 0.40
RORC P51449 2/20 0.40
DHODH Q02127 1/20 0.40
FPR1 P21462 1/20 0.39
FPR2 P25090 1/20 0.39
PDCD1 Q15116 2/20 0.39
CD274 Q9NZQ7 2/20 0.39
DDX3X O00571 1/20 0.38
P2RY1 P47900 1/20 0.37
MEN1 O00255 1/20 0.37
PABPC1 P11940 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
SCHEMBL4237190 1.00 MAPK8 (0.41) MAPK8MAPK10RAB9ANPSR1NPC1
SCHEMBL29714036 1.00 MAPK8 (0.41) MAPK8MAPK10RAB9ANPSR1NPC1
SCHEMBL3206506 0.92 RORC (0.42) MAPK8MAPK10RAB9ANPSR1NPC1
SCHEMBL402893 0.92 NPSR1 (0.41) MAPK8MAPK10RAB9ANPSR1NPC1
SCHEMBL29714058 0.90 CCR3 (0.41) MAPK8MAPK10RAB9ANPC1SMN1; SMN2
SCHEMBL20394663 0.88 CACNA1G (0.48)
SCHEMBL403416 0.88 CACNA1G (0.48)
SCHEMBL403417 0.88 CACNA1G (0.48)
SCHEMBL401728 0.86 NPSR1 (0.43) MAPK8MAPK10RAB9ANPSR1NPC1
SCHEMBL29714051 0.86 MAPK10 (0.41) MAPK8MAPK10RAB9ANPSR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPK8 3594/4885MAPK10 2706/4885RAB9A 3510/4885
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 MAPK8 3594/4885MAPK10 2706/4885RAB9A 3510/4885

“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.