SCHEMBL4489891

SCHEMBL4489891

Cc1cc(C)c2c(C#N)c(C=CC(=O)N3CCOCC3)n(C3CCCc4ccccc43)c2n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
P4HB P07237 1/20 0.39
RAB9A P51151 3/20 0.35
KDM4E B2RXH2 3/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
KHK P50053 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
CD38 P28907 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
SCHEMBL4489886 1.00 MEN1 (0.39) MEN1KMT2AP4HBRAB9AKDM4E
SCHEMBL6220908 0.95 RAB9A (0.36) MEN1KMT2AP4HBRAB9AKDM4E
SCHEMBL6220915 0.95 RAB9A (0.36) MEN1KMT2AP4HBRAB9AKDM4E
SCHEMBL4482486 0.89 POLB (0.36) MEN1KMT2AP4HBKDM4EALDH1A1
SCHEMBL4482480 0.89 POLB (0.36) MEN1KMT2AP4HBKDM4EALDH1A1
SCHEMBL4478017 0.88 PDE7A (0.36) KDM4EALDH1A1HPGDUSP2MAPT
SCHEMBL4478024 0.88 PDE7A (0.36) KDM4EALDH1A1HPGDUSP2MAPT
SCHEMBL4479225 0.88 PDE7A (0.36) KDM4EALDH1A1HPGDUSP2MAPT
SCHEMBL4479230 0.88 PDE7A (0.36) KDM4EALDH1A1HPGDUSP2MAPT
SCHEMBL4474586 0.88 PDE7A (0.36) KDM4EALDH1A1HPGDUSP2MAPT

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 MEN1 4657/4885KMT2A 3881/4885P4HB 506/4885

“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.