SCHEMBL3200332

SCHEMBL3200332

Cc1ccc(NC(=O)Nc2cccc(CN3CCN[C@H](C(=O)O)C3)c2F)cn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.40
DHODH Q02127 1/20 0.40
CCR3 P51677 9/20 0.40
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
NPSR1 Q6W5P4 1/20 0.39
SIRT2 Q8IXJ6 2/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
S1PR1 P21453 1/20 0.37
F2 P00734 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
SCHEMBL5070362 1.00 RORC (0.40) RORCDHODHCCR3MAPK8MAPK10
SCHEMBL3200036 0.91 MAPK8 (0.38) RORCDHODHCCR3MAPK8MAPK10
SCHEMBL3206971 0.91 MLNR (0.43) MAPK8MAPK10NPC1RAB9ASMN1; SMN2
SCHEMBL3200382 0.91 MLNR (0.43) MAPK8MAPK10NPC1RAB9ASMN1; SMN2
SCHEMBL3198159 0.86 SIRT2 (0.39) RORCDHODHCCR3MAPK8MAPK10
SCHEMBL3214420 0.86 SIRT2 (0.39) RORCDHODHCCR3MAPK8MAPK10
SCHEMBL30605469 0.86 NPC1 (0.46) RORCDHODHCCR3MAPK8MAPK10
SCHEMBL26603996 0.86 NPC1 (0.46) RORCDHODHCCR3MAPK8MAPK10
SCHEMBL3196716 0.84 NPC1 (0.53) RORCDHODHCCR3MAPK8MAPK10
SCHEMBL3196777 0.82 RORC (0.41) RORCDHODHCCR3MAPK8MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1959960-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP claimed
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 US claimed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 WO claimed
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
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 2972/4885DHODH 3762/4885CCR3 4640/4885
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNI3, TNNT2, MYLK2 RORC 2972/4885DHODH 3762/4885CCR3 4640/4885
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 RORC 2972/4885DHODH 3762/4885CCR3 4640/4885

“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.