SCHEMBL4475688

SCHEMBL4475688

Cc1cc(C)c2c(C#N)c(/C=C/C(=O)NC3CCOC(C)(C)C3)n(C3CCCc4ccccc43)c2n1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
BACE1 P56817 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK10 P53779 1/20 0.31
MAPK1 P28482 1/20 0.30
USP2 O75604 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 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
SCHEMBL4479493 1.00 SMN1; SMN2 (0.33) SMN1; SMN2BACE1RAB9AKMT2AKDM4E
SCHEMBL4483476 1.00 SMN1; SMN2 (0.33) SMN1; SMN2BACE1RAB9AKMT2AKDM4E
SCHEMBL4475692 1.00 SMN1; SMN2 (0.33) SMN1; SMN2BACE1RAB9AKMT2AKDM4E
SCHEMBL4479491 1.00 SMN1; SMN2 (0.33) SMN1; SMN2BACE1RAB9AKMT2AKDM4E
SCHEMBL4479977 1.00 SMN1; SMN2 (0.33) SMN1; SMN2BACE1RAB9AKMT2AKDM4E
SCHEMBL4483471 1.00 SMN1; SMN2 (0.33) SMN1; SMN2BACE1RAB9AKMT2AKDM4E
SCHEMBL4476291 1.00 SMN1; SMN2 (0.33) SMN1; SMN2BACE1RAB9AKMT2AKDM4E
SCHEMBL4479983 1.00 SMN1; SMN2 (0.33) SMN1; SMN2BACE1RAB9AKMT2AKDM4E
SCHEMBL4476286 1.00 SMN1; SMN2 (0.33) SMN1; SMN2BACE1RAB9AKMT2AKDM4E
SCHEMBL4488396 0.96 RAB9A (0.32) BACE1RAB9AKMT2AMAPK10MAPK1

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 SMN1; SMN2 3351/4885BACE1 4646/4885RAB9A 3079/4885

“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.