SCHEMBL3200772

SCHEMBL3200772

COCCN1CCN(Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2F)C[C@H]1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.41
MAPK8 P45983 2/20 0.39
MAPK10 P53779 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
DHODH Q02127 1/20 0.38
HIF1A Q16665 4/20 0.38
EPAS1 Q99814 4/20 0.38
CCR3 P51677 4/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
OGA O60502 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
P2RY1 P47900 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
SCHEMBL3204901 0.87 RORC (0.40) RORCMAPK8MAPK10NPC1RAB9A
SCHEMBL5070372 0.87 RORC (0.40) RORCMAPK8MAPK10NPC1RAB9A
SCHEMBL3203591 0.87 HIF1A (0.45) RORCMAPK8MAPK10NPC1RAB9A
SCHEMBL3210242 0.87 RORC (0.42) RORCMAPK8MAPK10NPC1RAB9A
SCHEMBL3189604 0.87 RORC (0.40) RORCMAPK8MAPK10NPC1RAB9A
SCHEMBL3215122 0.86 RORC (0.39) RORCMAPK8MAPK10NPC1RAB9A
SCHEMBL3200068 0.84 RORC (0.47) RORCMAPK8MAPK10NPC1RAB9A
SCHEMBL3208737 0.84 RORC (0.47) RORCMAPK8MAPK10NPC1RAB9A
SCHEMBL3209497 0.84 RORC (0.47) RORCMAPK8MAPK10NPC1RAB9A
SCHEMBL3214027 0.84 RORC (0.47) RORCMAPK8MAPK10NPC1RAB9A

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-8871768-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2014-10-28 US disclosed
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2013-12-05 US disclosed
US-8445495-B2 Certain Chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2013-05-21 US disclosed
EP-1959960-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2013-04-10 EP disclosed
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-02-04 US disclosed
EP-1959960-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 US disclosed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 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 (3 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-20070161617-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 RORC 2972/4885MAPK8 3317/4885MAPK10 2458/4885
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNI3, TNNT2, MYLK2 RORC 2972/4885MAPK8 3317/4885MAPK10 2458/4885
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 RORC 2972/4885MAPK8 3317/4885MAPK10 2458/4885

“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.