SCHEMBL4484301

SCHEMBL4484301

Cc1ccc2c(C#N)c(C=CC(=O)N(C)C3CCOCC3)n(C3CCc4ccccc43)c2n1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CMA1 P23946 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
SCHEMBL4484297 1.00 ALDH1A1 (0.34) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL4493283 0.85 RAB9A (0.38) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL4493278 0.85 RAB9A (0.38) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL4559140 0.84 MEN1 (0.35) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL4478374 0.84 ALDH1A1 (0.39) ALDH1A1CMA1
SCHEMBL4478365 0.84 ALDH1A1 (0.39) ALDH1A1CMA1
SCHEMBL4493216 0.82 NPC1 (0.33) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL4493221 0.82 NPC1 (0.33) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL4487972 0.82 GHSR (0.31) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL4487963 0.82 GHSR (0.31) ALDH1A1MEN1NPC1RAB9AKMT2A

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 ALDH1A1 1363/4885MEN1 4657/4885NPC1 4441/4885

“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.