SCHEMBL4487972

SCHEMBL4487972

CC(C)c1cc(C(C)C)c2c(C#N)c(C=CC(=O)N(C)C3CCOCC3)n(C3CCc4ccccc43)c2n1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.31
USP1 O94782 2/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4487963 1.00 GHSR (0.31) GHSRUSP1MEN1NPC1ALDH1A1
SCHEMBL4492010 0.86 RAB9A (0.35) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL4492005 0.86 RAB9A (0.35) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL4472516 0.86 CMA1 (0.33)
SCHEMBL4472509 0.86 CMA1 (0.33)
SCHEMBL4493216 0.84 NPC1 (0.33) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL4493221 0.84 NPC1 (0.33) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL4484301 0.82 ALDH1A1 (0.34) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL4484297 0.82 ALDH1A1 (0.34) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL4493286 0.82 POLB (0.35) ALDH1A1KMT2A

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 GHSR 1135/4885USP1 3942/4885MEN1 4657/4885

“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.