SCHEMBL4473346

SCHEMBL4473346

Cc1cc(C)c2c(C#N)cn(CC(c3ccccc3)c3ccccc3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 5/20 0.40
HPGD P15428 5/20 0.40
MAPK1 P28482 2/20 0.40
GLA P06280 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
MEN1 O00255 1/20 0.36
PSMD14 O00487 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4481874 0.82 KDM4E (0.48) ALDH1A1KDM4EHPGDMAPK1GLA
SCHEMBL4478406 0.80 KDM4E (0.41) ALDH1A1KDM4EHPGDMAPK1GLA
SCHEMBL4479997 0.78 L3MBTL1 (0.48) ALDH1A1KDM4EHPGDMAPK1GLA
SCHEMBL4478105 0.74 KDM4E (0.37) ALDH1A1KDM4EHPGDMAPK1GLA
SCHEMBL4469686 0.74 L3MBTL1 (0.39) ALDH1A1KDM4EHPGDMAPK1GLA
SCHEMBL4483010 0.73 HSD17B10 (0.46) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL4476545 0.71 HPGD (0.40) ALDH1A1KDM4EHPGDMAPK1CYP1A2
SCHEMBL4477559 0.69 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL4478779 0.68 HSD17B10 (0.38) ALDH1A1KDM4EHPGDMAPK1GLA
SCHEMBL4487945 0.68 CYP1A2 (0.39) ALDH1A1KDM4EHPGDMAPK1GLA

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 1363/4885KDM4E 2991/4885HPGD 75/4885

“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.