SCHEMBL4483010

SCHEMBL4483010

Cc1cc(C)c2c(C#N)cn(Cc3cccnc3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.46
CASP1 P29466 5/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
CASP7 P55210 3/20 0.46
KDM4E B2RXH2 3/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.45
HIF1A Q16665 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 2/20 0.40
AR P10275 2/20 0.39
APP P05067 1/20 0.38
SNCA P37840 1/20 0.38
GSK3B P49841 1/20 0.38
LMNA P02545 2/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38

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 0.87 KDM4E (0.48) HSD17B10CASP1ALDH1A1HPGDCASP7
SCHEMBL4469686 0.76 L3MBTL1 (0.39) HSD17B10ALDH1A1HPGDKDM4EGLA
SCHEMBL4465191 0.73 AR (0.45) HSD17B10CASP1ALDH1A1HPGDCASP7
SCHEMBL4473346 0.73 ALDH1A1 (0.40) HSD17B10ALDH1A1HPGDKDM4EGLA
SCHEMBL4487025 0.69 AR (0.41) HSD17B10CASP1ALDH1A1HPGDCASP7
SCHEMBL4487020 0.69 AR (0.41) HSD17B10CASP1ALDH1A1HPGDCASP7
SCHEMBL4477559 0.67 ALDH1A1 (0.46) HSD17B10CASP1ALDH1A1HPGDCASP7
SCHEMBL6890107 0.66 AR (0.58) ARAPPSNCA
SCHEMBL16247026 0.66 KDM5A (0.38) HSD17B10CASP1ALDH1A1HPGDCASP7
SCHEMBL4478406 0.65 KDM4E (0.41) HSD17B10ALDH1A1HPGDKDM4EGLA

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 HSD17B10 2301/4885CASP1 4645/4885ALDH1A1 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.