SCHEMBL4487864

SCHEMBL4487864

Cc1cc(C)c2c(C#N)c(C=CC(=O)Nc3cccnc3)n(CC3CCCO3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
CASP1 P29466 2/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
RAB9A P51151 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HPGD P15428 2/20 0.39
BLM P54132 1/20 0.39
NPC1 O15118 4/20 0.37
KDM4E B2RXH2 3/20 0.37
PKM P14618 1/20 0.37
CHIT1 Q13231 1/20 0.37
CHIA Q9BZP6 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
USP2 O75604 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36

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
SCHEMBL4487856 1.00 ALDH1A1 (0.43) ALDH1A1CASP1CASP7HSD17B10CACNA1G
SCHEMBL4465488 0.84 RAB9A (0.41) ALDH1A1CASP1CASP7HSD17B10RAB9A
SCHEMBL4465484 0.84 RAB9A (0.41) ALDH1A1CASP1CASP7HSD17B10RAB9A
SCHEMBL4472528 0.83 RAB9A (0.44) ALDH1A1CACNA1GCACNA1HCACNA1IRAB9A
SCHEMBL4472521 0.83 RAB9A (0.44) ALDH1A1CACNA1GCACNA1HCACNA1IRAB9A
SCHEMBL4481853 0.82 MAPT (0.43) ALDH1A1CASP1CASP7HSD17B10SMN1; SMN2
SCHEMBL4481858 0.82 MAPT (0.43) ALDH1A1CASP1CASP7HSD17B10SMN1; SMN2
SCHEMBL4477459 0.82 RAB9A (0.47) ALDH1A1RAB9ASMN1; SMN2HPGDBLM
SCHEMBL4477465 0.82 RAB9A (0.47) ALDH1A1RAB9ASMN1; SMN2HPGDBLM
SCHEMBL4479073 0.82 RAB9A (0.43) ALDH1A1RAB9ASMN1; SMN2HPGDBLM

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 ALDH1A1 1363/4885CASP1 4645/4885CASP7 4150/4885

“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.