SCHEMBL12691985

SCHEMBL12691985

N#Cc1c(-c2ccc(O)cc2)nc2[nH]nc(N)c2c1-c1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.49
ADORA2A P29274 1/20 0.49
GRM5 P41594 8/20 0.47
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
CDK5 Q00535 2/20 0.44
DYRK1A Q13627 2/20 0.44
CDK5R1 Q15078 1/20 0.41
RPS6KA3 P51812 1/20 0.41
BRD4 O60885 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
PIM1 P11309 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL12691974 0.91 ADORA1 (0.51) ADORA1ADORA2AGRM5ALDH1A1MEN1
SCHEMBL12692599 0.87 FGFR1 (0.48) ADORA1ADORA2AGRM5IKBKBCHUK
SCHEMBL12692087 0.85 GRM5 (0.49) ADORA1ADORA2AGRM5IKBKBCHUK
SCHEMBL12692147 0.84 GRM5 (0.55) ADORA1ADORA2AGRM5CDK5DYRK1A
SCHEMBL12692128 0.83 ADORA1 (0.45) ADORA1ADORA2AGRM5IKBKBCHUK
SCHEMBL16790869 0.80 ADORA1 (0.52) ADORA1ADORA2AGRM5ALDH1A1MEN1
SCHEMBL16790912 0.79 GRM5 (0.55) ADORA1ADORA2AGRM5MEN1KMT2A
SCHEMBL12692153 0.78 ADORA1 (0.46) ADORA1ADORA2AGRM5ALDH1A1MEN1
SCHEMBL16790853 0.77 GRM5 (0.42) ADORA1ADORA2AGRM5IKBKBCHUK
SCHEMBL12691967 0.76 ADORA1 (0.53) ADORA1ADORA2AGRM5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488519-B1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT PF MEDICAMENT (FR) 2015-06-10 EP disclosed
US-8889711-B2 Pyrazolopyridine derivatives as anticancer agent PIERRE FABRE MEDICAMENT (FR) 2014-11-18 US disclosed
US-8889711-B2 Pyrazolopyridine derivatives as anticancer agent PIERRE FABRE MEDICAMENT (FR) 2014-11-18 US disclosed
US-20120245170-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT PIERRE FABRE MEDICAMENT (FR) 2012-09-27 US disclosed
US-20120245170-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT PIERRE FABRE MEDICAMENT (FR) 2012-09-27 US disclosed
WO-2011045344-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT PIERRE FABRE MEDICAMENT (FR) 2011-04-21 WO 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-20120245170-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT DPYD, TYMP, ABCB1 ADORA1 3012/4885ADORA2A 2774/4885GRM5 3618/4885

“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.