SCHEMBL4480042

SCHEMBL4480042

Cc1cc(C)c2c(C#N)c(C=O)n(C3CCc4ccccc43)c2n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.37
PPARG P37231 7/20 0.37
APLNR P35414 1/20 0.36
MAPT P10636 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CMA1 P23946 1/20 0.34
MAOB P27338 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL4477285 0.94 PDE7A (0.37) AGTR1PPARGMAPTCYP1A2CYP2C19
SCHEMBL4487077 0.94 PDE7A (0.37) AGTR1PPARGMAPTCYP1A2CYP2C19
SCHEMBL4480752 0.94 PDE7A (0.37) AGTR1PPARGMAPTCYP1A2CYP2C19
SCHEMBL4478347 0.87 CMA1 (0.36) AGTR1PPARGAPLNRMAPTCMA1
SCHEMBL4478355 0.87 CMA1 (0.36) AGTR1PPARGAPLNRMAPTCMA1
SCHEMBL4471445 0.85 ALDH1A1 (0.38) AGTR1PPARGAPLNRSMN1; SMN2CMA1
SCHEMBL4465216 0.83 MAPT (0.37) MAPTCYP1A2CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL4478024 0.82 PDE7A (0.36) MAPTSMN1; SMN2CMA1MAOBALDH1A1
SCHEMBL4479225 0.82 PDE7A (0.36) MAPTSMN1; SMN2CMA1MAOBALDH1A1
SCHEMBL4479230 0.82 PDE7A (0.36) MAPTSMN1; SMN2CMA1MAOBALDH1A1

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 AGTR1 227/4885PPARG 1174/4885APLNR 547/4885

“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.