SCHEMBL5453972

SCHEMBL5453972

Nc1cc(-c2ccco2)nc2ccnn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.48
MAPT P10636 2/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 1/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 3/20 0.44
BLM P54132 1/20 0.44
ADORA2A P29274 5/20 0.43
ADORA1 P30542 3/20 0.43
ADORA2B P29275 2/20 0.43
ABCB1 P08183 1/20 0.43
HPGD P15428 2/20 0.43
CHEK1 O14757 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL13309185 0.82 ALDH1A1 (0.50) MAPTHSD17B10ALDH1A1MEN1ALOX15
SCHEMBL5455512 0.82 PDE10A (0.54) PTGS1MAPTHSD17B10ALDH1A1MEN1
SCHEMBL31560205 0.78 ALDH1A1 (0.67) MAPTHSD17B10ALDH1A1MEN1ALOX15
SCHEMBL5452156 0.76 ALDH1A1 (0.56) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL13901482 0.74 ADORA2A (0.46) PTGS1MAPTHSD17B10ALDH1A1MEN1
SCHEMBL13993127 0.74 CHEK1 (0.63) PTGS1MAPTHSD17B10ALDH1A1MEN1
SCHEMBL14394871 0.74 ADORA2A (0.46) PTGS1MAPTHSD17B10ALDH1A1MEN1
SCHEMBL5460449 0.73 CHEK1 (0.42) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL7833011 0.72 ALDH1A1 (0.45) MAPTHSD17B10ALDH1A1MEN1ALOX15
SCHEMBL31560203 0.72 CDK9 (0.53) MAPTHSD17B10ALDH1A1MEN1ALOX15

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060595-A1 Novel fused heterocyclic compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-15 US disclosed
EP-1671962-A1 NOVEL FUSED HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-06-21 EP disclosed
EP-0714898-B1 PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2001-11-14 EP disclosed
US-5707997-A ANALGESICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-01-13 US disclosed
EP-0714898-A1 PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-06-05 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-20070060595-A1 Novel fused heterocyclic compound and use thereof JUN, CHUK, RELA PTGS1 408/4885MAPT 4634/4885HSD17B10 1660/4885

“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.