SCHEMBL4487161

SCHEMBL4487161

COc1ccc2c(c1OC)CCC2n1c(/C=C/C(=O)N2CC(C)OC(C)C2)c(C#N)c2c(C)cc(C)nc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 5/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 3/20 0.32
HSD17B10 Q99714 2/20 0.32
POLB P06746 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
CFD P00746 2/20 0.31
S1PR1 P21453 2/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CMA1 P23946 1/20 0.30
PARP1 P09874 1/20 0.30
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL4487165 1.00 KMT2A (0.44) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4487094 0.97 KMT2A (0.43) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4487099 0.97 KMT2A (0.43) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4481834 0.90 TRPV1 (0.37) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4481839 0.90 TRPV1 (0.37) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4482525 0.89 TRPV1 (0.37) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4482520 0.89 TRPV1 (0.37) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4475899 0.88 CMA1 (0.35) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4475908 0.88 CMA1 (0.35) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4493326 0.86 PARP1 (0.37) KMT2AKDM4EALDH1A1HPGDHSD17B10

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 KMT2A 3881/4885KDM4E 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.