SCHEMBL4465191

SCHEMBL4465191

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.45
CASP1 P29466 5/20 0.44
HSD17B10 Q99714 5/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
CASP7 P55210 3/20 0.44
ALDH1A1 P00352 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PSMD14 O00487 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
DYRK1A Q13627 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
GRIN1 Q05586 5/20 0.38

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
SCHEMBL4470476 0.88 HPGD (0.55) ARCASP1HSD17B10KDM4EHPGD
SCHEMBL4487020 0.87 AR (0.41) ARCASP1HSD17B10KDM4EHPGD
SCHEMBL4487025 0.87 AR (0.41) ARCASP1HSD17B10KDM4EHPGD
SCHEMBL4465488 0.82 RAB9A (0.41) ARCASP1HSD17B10KDM4EHPGD
SCHEMBL4465484 0.82 RAB9A (0.41) ARCASP1HSD17B10KDM4EHPGD
SCHEMBL4486445 0.78 ALDH1A1 (0.41) CASP1HSD17B10KDM4EHPGDALDH1A1
SCHEMBL4472528 0.78 RAB9A (0.44) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL4472521 0.78 RAB9A (0.44) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL4476545 0.76 HPGD (0.40) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL4481881 0.76 KMT2A (0.50) HSD17B10KDM4EHPGDALDH1A1GAA

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 AR 522/4885CASP1 4645/4885HSD17B10 2301/4885

“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.