SCHEMBL4493283

SCHEMBL4493283

Cc1ccc2c(C#N)c(C=CC(=O)N3CCOCC3)n(C3CCc4ccccc43)c2n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.38
NPC1 O15118 6/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
P4HB P07237 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 2/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
ITGAL P20701 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCD Q05655 1/20 0.32

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
SCHEMBL4493278 1.00 RAB9A (0.38) RAB9ANPC1KDM4EHPGDALDH1A1
SCHEMBL4470905 0.91 ALDH1A1 (0.35) RAB9AKDM4EHPGDALDH1A1POLB
SCHEMBL4470903 0.91 ALDH1A1 (0.35) RAB9AKDM4EHPGDALDH1A1POLB
SCHEMBL6220915 0.88 RAB9A (0.36) RAB9ANPC1KDM4EHPGDALDH1A1
SCHEMBL6220908 0.88 RAB9A (0.36) RAB9ANPC1KDM4EHPGDALDH1A1
SCHEMBL4482617 0.88 POLB (0.39) KDM4EHPGDALDH1A1KMT2APOLB
SCHEMBL4482624 0.88 POLB (0.39) KDM4EHPGDALDH1A1KMT2APOLB
SCHEMBL4478374 0.86 ALDH1A1 (0.39) KDM4EHPGDALDH1A1L3MBTL1
SCHEMBL4478365 0.86 ALDH1A1 (0.39) KDM4EHPGDALDH1A1L3MBTL1
SCHEMBL4484297 0.85 ALDH1A1 (0.34) RAB9ANPC1ALDH1A1MEN1KMT2A

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 RAB9A 3079/4885NPC1 4441/4885KDM4E 2991/4885

“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.