SCHEMBL4493282

SCHEMBL4493282

CC1CN(C(=O)/C=C/c2c(C#N)c3c(C(C)C)cc(C(C)C)nc3n2C2CCc3ccccc32)CC(C)O1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL4493286 1.00 POLB (0.35) POLBALDH1A1KDM4EHPGDKMT2A
SCHEMBL4492010 0.89 RAB9A (0.35) POLBALDH1A1KDM4EHPGDKMT2A
SCHEMBL4492005 0.89 RAB9A (0.35) POLBALDH1A1KDM4EHPGDKMT2A
SCHEMBL4466944 0.88 AADAT (0.33) HPGDLMNAHTT
SCHEMBL4466951 0.88 AADAT (0.33) HPGDLMNAHTT
SCHEMBL4472516 0.87 CMA1 (0.33)
SCHEMBL4472509 0.87 CMA1 (0.33)
SCHEMBL4475959 0.83 POLB (0.36) POLBALDH1A1KDM4EHPGDKMT2A
SCHEMBL4475952 0.83 POLB (0.36) POLBALDH1A1KDM4EHPGDKMT2A
SCHEMBL4469943 0.82 AADAT (0.32) ALDH1A1KDM4EHPGD

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 POLB 3355/4885ALDH1A1 1363/4885KDM4E 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.