SCHEMBL4481344

SCHEMBL4481344

Cc1cc(C)c2c(C#N)c(C=CC(=O)N3CCOCC3)n(CC3CCCO3)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.38
HSD17B10 Q99714 7/20 0.38
CYP1A2 P05177 4/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 6/20 0.37
KHK P50053 1/20 0.37
CASP1 P29466 4/20 0.37
CASP7 P55210 4/20 0.37
TSHR P16473 3/20 0.37
USP2 O75604 1/20 0.37
KDM4E B2RXH2 7/20 0.37
GLA P06280 3/20 0.37
GAA P10253 3/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HTT P42858 1/20 0.35
FASN P49327 1/20 0.34
PIK3CA P42336 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
SCHEMBL4481338 1.00 ALDH1A1 (0.38) ALDH1A1HSD17B10CYP1A2MAPTHPGD
SCHEMBL4481853 0.88 MAPT (0.43) ALDH1A1HSD17B10MAPTHPGDCASP1
SCHEMBL4481858 0.88 MAPT (0.43) ALDH1A1HSD17B10MAPTHPGDCASP1
SCHEMBL4480577 0.82 ALDH1A1 (0.43) ALDH1A1HSD17B10MAPTHPGDKHK
SCHEMBL4480585 0.82 ALDH1A1 (0.43) ALDH1A1HSD17B10MAPTHPGDKHK
SCHEMBL4472197 0.82 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP1A2MAPTHPGD
SCHEMBL4491967 0.81 RAB9A (0.40) ALDH1A1MAPTHPGDKHKKDM4E
SCHEMBL4491963 0.81 RAB9A (0.40) ALDH1A1MAPTHPGDKHKKDM4E
SCHEMBL4475496 0.80 ALDH1A1 (0.44) ALDH1A1HSD17B10CYP1A2MAPTHPGD
SCHEMBL4475482 0.80 ALDH1A1 (0.44) ALDH1A1HSD17B10CYP1A2MAPTHPGD

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 1363/4885HSD17B10 2301/4885CYP1A2 936/4885

“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.