SCHEMBL2926257

SCHEMBL2926257

c1cc(-c2ccnc3[nH]ncc23)ccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.59
BRD4 O60885 1/20 0.56
PIK3CA P42336 3/20 0.55
AKT1 P31749 2/20 0.55
PRKCQ Q04759 9/20 0.49
PRKCD Q05655 2/20 0.49
JAK2 O60674 1/20 0.49
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
TLR8 Q9NR97 2/20 0.48
TLR7 Q9NYK1 2/20 0.48
TLR9 Q9NR96 1/20 0.48
CSNK1D P48730 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
CDK1 P06493 1/20 0.45
LYN P07948 1/20 0.45
PIM1 P11309 1/20 0.45

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
SCHEMBL4201396 0.86 NUDT1 (0.68) NUDT1BRD4PRKCQPRKCDJAK2
SCHEMBL15805254 0.80 BRD4 (0.55) NUDT1BRD4PRKCQPRKCDJAK2
SCHEMBL28553779 0.78 NUDT1 (0.51) NUDT1BRD4PRKCQPRKCDJAK2
Maleic Acid SCHEMBL10590163 0.76 NUDT1 (0.56) NUDT1BRD4PRKCQPRKCDJAK2
SCHEMBL9918003 0.75 NUDT1 (0.65) NUDT1BRD4PRKCQPRKCDJAK2
SCHEMBL22554206 0.75 NUDT1 (0.51) NUDT1BRD4PIK3CAAKT1PRKCQ
SCHEMBL29635549 0.73 NUDT1 (0.57) NUDT1BRD4PRKCQPRKCDJAK2
SCHEMBL2240257 0.73 IKBKB (0.74) NUDT1BRD4PRKCQJAK2ROCK1
SCHEMBL2817514 0.73 AURKA (0.62) NUDT1AKT1ROCK2ROCK1AURKA
SCHEMBL4194187 0.72 PRKCI (0.59) NUDT1BRD4PRKCQPRKCDJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611131-A1 PYRAZOLOPYRIDINE DERIVATES J. Uriach y Compagnia S.A. (ES) 2006-01-04 EP claimed
WO-2004076450-A1 PYRAZOLOPYRIDINE DERIVATES J. Uriach Y Compañia S.A. (ES) 2004-09-10 WO claimed
US-8536194-B2 Pyrazolopyridine derivates PALAU PHARMA, S.A. (ES) 2013-09-17 US disclosed
EP-1611131-B1 PYRAZOLOPYRIDINE DERIVATES PALAU PHARMA SA (ES) 2010-09-15 EP disclosed
US-20090286983-A1 Pyrazolopyridine Derivates PALAU PHARMA, S.A. (ES) 2009-11-19 US disclosed
US-20090005377-A1 Pyrazolopyridine Derivates PALAU PHARMA, S.A. (ES) 2009-01-01 US disclosed
US-7468376-B2 Pyrazolopyridine derivates PALAU PHARMA, S.A. (ES) 2008-12-23 US disclosed
US-20060167040-A1 Pyrazolopyridine derivates J. URIACH Y COMPANIA S.A. (ES) 2006-07-27 US 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 (3 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-20060167040-A1 Pyrazolopyridine derivates MAPK1, MAP4K2, MAP4K3 NUDT1 886/4885BRD4 1360/4885PIK3CA 625/4885
US-20090286983-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 NUDT1 1376/4885BRD4 1034/4885PIK3CA 551/4885
US-20090005377-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 NUDT1 1376/4885BRD4 1034/4885PIK3CA 551/4885

“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.