SCHEMBL3203591

SCHEMBL3203591

Cc1ccc(NC(=O)Nc2cccc(CN3CCN(Cc4ccccc4)[C@H](C)C3)c2F)cn1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.45
EPAS1 Q99814 4/20 0.45
RORC P51449 3/20 0.42
DHODH Q02127 1/20 0.42
CCR3 P51677 9/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK10 P53779 1/20 0.42
OGA O60502 1/20 0.41
P2RY1 P47900 1/20 0.40

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
SCHEMBL3214447 0.89 CCR3 (0.51) RORCDHODHCCR3NPC1RAB9A
SCHEMBL5070372 0.89 RORC (0.40) HIF1AEPAS1RORCDHODHCCR3
SCHEMBL3204901 0.89 RORC (0.40) HIF1AEPAS1RORCDHODHCCR3
SCHEMBL3210242 0.89 RORC (0.42) HIF1AEPAS1RORCDHODHCCR3
SCHEMBL3189604 0.89 RORC (0.40) HIF1AEPAS1RORCDHODHCCR3
SCHEMBL3200068 0.87 RORC (0.47) RORCDHODHCCR3NPC1RAB9A
SCHEMBL3214027 0.87 RORC (0.47) RORCDHODHCCR3NPC1RAB9A
SCHEMBL3208737 0.87 RORC (0.47) RORCDHODHCCR3NPC1RAB9A
SCHEMBL3200772 0.87 RORC (0.41) HIF1AEPAS1RORCDHODHCCR3
SCHEMBL3215122 0.87 RORC (0.39) HIF1AEPAS1RORCDHODHCCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 US 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
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 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 (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 HIF1A 1626/4885EPAS1 1256/4885RORC 2972/4885
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNI3, TNNT2, MYLK2 HIF1A 1626/4885EPAS1 1256/4885RORC 2972/4885
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 HIF1A 1626/4885EPAS1 1256/4885RORC 2972/4885

“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.