SCHEMBL3200192

SCHEMBL3200192

Cc1cc(NC(=O)Nc2cccc(CN3CCN(/C(=N/C#N)N4CCCC4)CC3)c2F)ccn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.41
DHODH Q02127 1/20 0.41
CCR3 P51677 12/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
GPR6 P46095 1/20 0.36
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34

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
SCHEMBL3200186 1.00 RORC (0.41) RORCDHODHCCR3NPC1RAB9A
SCHEMBL3206988 0.98 RORC (0.41) RORCDHODHCCR3NPC1RAB9A
SCHEMBL3206985 0.98 RORC (0.41) RORCDHODHCCR3NPC1RAB9A
SCHEMBL3206805 0.94 CCR3 (0.39) RORCDHODHCCR3NPC1RAB9A
SCHEMBL3206801 0.94 CCR3 (0.39) RORCDHODHCCR3NPC1RAB9A
SCHEMBL3203572 0.93 CCR3 (0.38) RORCDHODHCCR3NPC1RAB9A
SCHEMBL3208985 0.87 RORC (0.46) RORCDHODHCCR3NPC1RAB9A
SCHEMBL3215173 0.86 RORC (0.44) RORCDHODHCCR3NPC1RAB9A
SCHEMBL3215178 0.86 RORC (0.44) RORCDHODHCCR3NPC1RAB9A
SCHEMBL16198772 0.86 RORC (0.46) RORCDHODHCCR3NPC1RAB9A

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 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.