SCHEMBL4482480

SCHEMBL4482480

Cc1cc(C)c2c(C#N)c(/C=C/C(=O)N3CC(C)OC(C)C3)n(C3CCCc4ccccc43)c2n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
CD38 P28907 2/20 0.31
PDE7A Q13946 1/20 0.31
PDE7B Q9NP56 1/20 0.31
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
P4HB P07237 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
SCHEMBL4482486 1.00 POLB (0.36) POLBKDM4EALDH1A1HPGDKMT2A
SCHEMBL4489891 0.89 MEN1 (0.39) POLBKDM4EALDH1A1HPGDKMT2A
SCHEMBL4489886 0.89 MEN1 (0.39) POLBKDM4EALDH1A1HPGDKMT2A
SCHEMBL4478460 0.87 POLB (0.40) POLBKDM4EALDH1A1HPGDKMT2A
SCHEMBL4478465 0.87 POLB (0.40) POLBKDM4EALDH1A1HPGDKMT2A
SCHEMBL4479225 0.87 PDE7A (0.36) KDM4EALDH1A1HPGDCD38PDE7A
SCHEMBL4479230 0.87 PDE7A (0.36) KDM4EALDH1A1HPGDCD38PDE7A
SCHEMBL4478017 0.87 PDE7A (0.36) KDM4EALDH1A1HPGDCD38PDE7A
SCHEMBL4474586 0.87 PDE7A (0.36) KDM4EALDH1A1HPGDCD38PDE7A
SCHEMBL4478024 0.87 PDE7A (0.36) KDM4EALDH1A1HPGDCD38PDE7A

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 3355/4885KDM4E 2991/4885ALDH1A1 1363/4885

“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.