SCHEMBL4477559

SCHEMBL4477559

Cc1cc(C)c2c(C#N)cn(CC3CCCO3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.46
KDM4E B2RXH2 6/20 0.46
HPGD P15428 6/20 0.46
GLA P06280 5/20 0.46
GAA P10253 4/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.40
POLB P06746 1/20 0.40
HIF1A Q16665 1/20 0.40
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.39
ATM Q13315 1/20 0.38
PIK3CA P42336 1/20 0.37
BRD4 O60885 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL4472197 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL28052317 0.73 CRHR1 (0.41) ALDH1A1KDM4EHPGDGAAMEN1
SCHEMBL4481874 0.71 KDM4E (0.48) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL4481858 0.71 MAPT (0.43) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL4481853 0.71 MAPT (0.43) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL4469686 0.70 L3MBTL1 (0.39) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL4473346 0.69 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL4481338 0.67 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL4483010 0.67 HSD17B10 (0.46) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL16247026 0.66 KDM5A (0.38) ALDH1A1KDM4EHPGDGLACASP1

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 1363/4885KDM4E 2991/4885HPGD 75/4885

“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.