SCHEMBL4488946

SCHEMBL4488946

Cc1cc(C)c2c(C#N)c(C=CC(=O)N(C)c3ccccc3)n([C@H]3CCCc4ccccc43)c2n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
POLQ O75417 5/20 0.36
SPR P35270 1/20 0.32
CD38 P28907 2/20 0.32
KDM4E B2RXH2 2/20 0.32
PDE7A Q13946 1/20 0.32
PDE7B Q9NP56 1/20 0.32
HSD11B1 P28845 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL4488938 1.00 ALDH1A1 (0.37) ALDH1A1POLQSPRCD38KDM4E
SCHEMBL4474583 0.90 PDE7A (0.36) ALDH1A1CD38KDM4EPDE7APDE7B
SCHEMBL4479225 0.90 PDE7A (0.36) ALDH1A1CD38KDM4EPDE7APDE7B
SCHEMBL4478024 0.90 PDE7A (0.36) ALDH1A1CD38KDM4EPDE7APDE7B
SCHEMBL4478017 0.90 PDE7A (0.36) ALDH1A1CD38KDM4EPDE7APDE7B
SCHEMBL4474586 0.90 PDE7A (0.36) ALDH1A1CD38KDM4EPDE7APDE7B
SCHEMBL4479230 0.90 PDE7A (0.36) ALDH1A1CD38KDM4EPDE7APDE7B
SCHEMBL4559140 0.88 MEN1 (0.35) ALDH1A1SPRCD38KDM4EPDE7A
SCHEMBL4475604 0.86 KMT2A (0.37) ALDH1A1CD38KDM4ENPC1RAB9A
SCHEMBL4475609 0.86 KMT2A (0.37) ALDH1A1CD38KDM4ENPC1RAB9A

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 6 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 claimed
US-20060167038-A1 Pyrrolopyridine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-27 US claimed
EP-1535922-A1 PYRROLOPYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 EP claimed
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 1363/4885POLQ 4004/4885SPR 383/4885

“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.