SCHEMBL4471445

SCHEMBL4471445

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAOB P27338 2/20 0.35
DDB1 Q16531 2/20 0.34
CRBN Q96SW2 2/20 0.34
APLNR P35414 4/20 0.34
CMA1 P23946 1/20 0.33
PDE7A Q13946 1/20 0.32
PDE7B Q9NP56 1/20 0.32
CYP11B2 P19099 1/20 0.32
AGTR1 P30556 1/20 0.32
PPARG P37231 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EED O75530 1/20 0.31
P2RX7 Q99572 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
SCHEMBL4478365 0.86 ALDH1A1 (0.39) ALDH1A1MAOBDDB1CRBNAPLNR
SCHEMBL4478374 0.86 ALDH1A1 (0.39) ALDH1A1MAOBDDB1CRBNAPLNR
SCHEMBL4480042 0.85 AGTR1 (0.37) ALDH1A1MAOBAPLNRCMA1AGTR1
SCHEMBL4470905 0.81 ALDH1A1 (0.35) ALDH1A1MAOBCMA1KDM4E
SCHEMBL4470903 0.81 ALDH1A1 (0.35) ALDH1A1MAOBCMA1KDM4E
SCHEMBL4493278 0.81 RAB9A (0.38) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4493283 0.81 RAB9A (0.38) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4482617 0.80 POLB (0.39) ALDH1A1CMA1KDM4E
SCHEMBL4482624 0.80 POLB (0.39) ALDH1A1CMA1KDM4E
SCHEMBL4480230 0.80 ALDH1A1 (0.36) ALDH1A1CMA1KDM4ESMN1; SMN2

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 1363/4885MAOB 1332/4885DDB1 4373/4885

“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.