SCHEMBL4479997

SCHEMBL4479997

Cc1cc(C)c2c(C#N)cn(CCOc3ccccc3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.48
MAPT P10636 6/20 0.46
HTT P42858 4/20 0.46
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
USP2 O75604 2/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 4/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 3/20 0.39
GLA P06280 1/20 0.38
TP53 P04637 2/20 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 0.80 KDM4E (0.48) L3MBTL1MAPTHTTALDH1A1SMN1; SMN2
SCHEMBL4473346 0.78 ALDH1A1 (0.40) L3MBTL1MAPTHTTALDH1A1SMN1; SMN2
SCHEMBL4479256 0.73 SMN1; SMN2 (0.45) L3MBTL1MAPTHTTRAB9ANPC1
SCHEMBL4469686 0.71 L3MBTL1 (0.39) L3MBTL1MAPTHTTRAB9ANPC1
SCHEMBL4483010 0.70 HSD17B10 (0.46) MAPTALDH1A1LMNAKDM4ETSHR
SCHEMBL4478406 0.70 KDM4E (0.41) MAPTHTTRAB9ANPC1ALDH1A1
SCHEMBL4479188 0.70 ALDH1A1 (0.40) L3MBTL1MAPTHTTRAB9ANPC1
SCHEMBL4479192 0.70 ALDH1A1 (0.40) L3MBTL1MAPTHTTRAB9ANPC1
SCHEMBL4477559 0.67 ALDH1A1 (0.46) L3MBTL1MAPTHTTALDH1A1LMNA
SCHEMBL4478779 0.66 HSD17B10 (0.38) MAPTNPC1ALDH1A1SMN1; SMN2MAPK1

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 4827/4885MAPT 4742/4885HTT 2457/4885

“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.