SCHEMBL4494294

SCHEMBL4494294

COc1ccc2c(c1OC)CCC2n1c(C=O)c(C#N)c2c(C)cc(C)nc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.37
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 5/20 0.34
HSD17B10 Q99714 3/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 3/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 3/20 0.33
CMA1 P23946 2/20 0.33
POLB P06746 2/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.31
CYP11B2 P19099 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4481889 0.96 PARP1 (0.42) PARP1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL4475908 0.89 CMA1 (0.35) PARP1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL4475899 0.89 CMA1 (0.35) PARP1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL4474885 0.85 PARP1 (0.39) PARP1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL4474879 0.85 PARP1 (0.39) PARP1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL4482520 0.84 TRPV1 (0.37) PARP1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL4482525 0.84 TRPV1 (0.37) PARP1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL4481839 0.84 TRPV1 (0.37) KDM4EALDH1A1HSD17B10HPGDKMT2A
SCHEMBL4481834 0.84 TRPV1 (0.37) KDM4EALDH1A1HSD17B10HPGDKMT2A
SCHEMBL4487165 0.83 KMT2A (0.44) PARP1KDM4EALDH1A1HSD17B10HPGD

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 PARP1 2989/4885KDM4E 2991/4885ALDH1A1 1363/4885

“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.