SCHEMBL4469686

SCHEMBL4469686

Cc1cc(C)c2c(C#N)cn(Cc3cccs3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 5/20 0.37
HPGD P15428 4/20 0.37
NPSR1 Q6W5P4 3/20 0.37
RXFP1 Q9HBX9 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 6/20 0.36
HSD17B10 Q99714 4/20 0.36
TSHR P16473 4/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
CYP3A4 P08684 1/20 0.35

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 0.81 KDM4E (0.48) L3MBTL1ALDH1A1HPGDKMT2AMEN1
SCHEMBL4483010 0.76 HSD17B10 (0.46) ALDH1A1HPGDKMT2AMEN1HSD17B10
SCHEMBL4473346 0.74 ALDH1A1 (0.40) L3MBTL1ALDH1A1HPGDNPSR1KMT2A
SCHEMBL28052317 0.73 CRHR1 (0.41) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL4486445 0.73 ALDH1A1 (0.41) L3MBTL1ALDH1A1HPGDKMT2AMEN1
SCHEMBL4479997 0.71 L3MBTL1 (0.48) L3MBTL1ALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4477559 0.70 ALDH1A1 (0.46) L3MBTL1ALDH1A1HPGDNPSR1RXFP1
SCHEMBL4483321 0.69 SMN1; SMN2 (0.41) L3MBTL1ALDH1A1HPGDNPSR1RXFP1
SCHEMBL4483315 0.69 SMN1; SMN2 (0.41) L3MBTL1ALDH1A1HPGDNPSR1RXFP1
SCHEMBL12926000 0.68 HTT (0.46) L3MBTL1ALDH1A1KMT2AMEN1SMN1; SMN2

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 L3MBTL1 4827/4885ALDH1A1 1363/4885HPGD 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.