SCHEMBL4493368

SCHEMBL4493368

Cc1cc(C)c2c(C#N)c(C=CC(=O)NC3CCOC(C)(C)C3)n(Cc3cccnc3)c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.36
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
MAPK1 P28482 2/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 4/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
CASP1 P29466 3/20 0.33
GLA P06280 2/20 0.33
GAA P10253 2/20 0.33
CASP7 P55210 2/20 0.33
GABRA1 P14867 1/20 0.32
AR P10275 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
BACE1 P56817 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL4493360 1.00 MAPK10 (0.36) MAPK10CHRNB2CHRNA7CHRNA4MAPK1
SCHEMBL4477868 0.92 HTT (0.37) MAPK10RAB9AKMT2AHSD17B10KDM4E
SCHEMBL4477860 0.92 HTT (0.37) MAPK10RAB9AKMT2AHSD17B10KDM4E
SCHEMBL4487037 0.86 ALDH1A1 (0.34) MAPK10MAPK1RAB9AKMT2AHSD17B10
SCHEMBL4491956 0.84 BACE1 (0.35) MAPK10MAPK1RAB9AKMT2AHSD17B10
SCHEMBL4491950 0.84 BACE1 (0.35) MAPK10MAPK1RAB9AKMT2AHSD17B10
SCHEMBL4480675 0.83 KMT2A (0.35) RAB9AKMT2AHSD17B10KDM4EALDH1A1
SCHEMBL4480682 0.83 KMT2A (0.35) RAB9AKMT2AHSD17B10KDM4EALDH1A1
SCHEMBL4477528 0.82 TP53 (0.37) MAPK10MAPK1RAB9AKMT2AHSD17B10
SCHEMBL4477523 0.82 TP53 (0.37) MAPK10MAPK1RAB9AKMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582651-B2 Pyrrolopyridine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-01 US disclosed
US-20060167038-A1 Pyrrolopyridine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-27 US disclosed
EP-1535922-A1 PYRROLOPYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 EP 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 (1 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-20060167038-A1 Pyrrolopyridine derivative and use thereof OPRD1, TRPV1, OPRM1 MAPK10 1647/4885CHRNB2 602/4885CHRNA7 511/4885

“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.