SCHEMBL4201396

SCHEMBL4201396

c1ccc(-c2ccnc3[nH]ncc23)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.68
PRKCQ Q04759 11/20 0.57
JAK2 O60674 2/20 0.57
ROCK1 Q13464 2/20 0.57
IKBKB O14920 1/20 0.57
CHUK O15111 1/20 0.57
DAPK3 O43293 1/20 0.57
PRKD3 O94806 1/20 0.57
MAP4K4 O95819 1/20 0.57
PAK4 O96013 1/20 0.57
CSF1R P07333 1/20 0.57
RET P07949 1/20 0.57
IGF1R P08069 1/20 0.57
FGFR1 P11362 1/20 0.57
PRKACA P17612 1/20 0.57
FLT1 P17948 1/20 0.57
LTK P29376 1/20 0.57
GRK5 P34947 1/20 0.57
KDR P35968 1/20 0.57
MAP2K2 P36507 1/20 0.57

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
Maleic Acid SCHEMBL10590163 0.88 NUDT1 (0.56) NUDT1PRKCQJAK2ROCK1IKBKB
SCHEMBL2926257 0.86 NUDT1 (0.59) NUDT1PRKCQJAK2ROCK1FGFR1
SCHEMBL2817514 0.82 AURKA (0.62) NUDT1ROCK1CSF1RFLT1KDR
SCHEMBL9918003 0.81 NUDT1 (0.65) NUDT1PRKCQJAK2ROCK1BRD4
SCHEMBL4194187 0.79 PRKCI (0.59) NUDT1PRKCQJAK2ROCK1CSNK1A1
SCHEMBL28793917 0.78 NUDT1 (0.51) NUDT1PRKCQJAK2ROCK1BRD4
SCHEMBL15805254 0.77 BRD4 (0.55) NUDT1PRKCQJAK2ROCK1CDK5
SCHEMBL9917927 0.76 NUDT1 (0.62) NUDT1PRKCQJAK2ROCK1BRD4
SCHEMBL9917925 0.76 NUDT1 (0.62) NUDT1PRKCQJAK2ROCK1CDK8
SCHEMBL9917906 0.75 PRKCQ (0.70) NUDT1PRKCQJAK2ROCK1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536194-B2 Pyrazolopyridine derivates PALAU PHARMA, S.A. (ES) 2013-09-17 US 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-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US disclosed
US-20060167040-A1 Pyrazolopyridine derivates J. URIACH Y COMPANIA S.A. (ES) 2006-07-27 US disclosed
EP-0338087-A1 FUSED PYRAZOLE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR MEDICINAL USE Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-10-25 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 (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 886/4885PRKCQ 712/4885JAK2 245/4885
US-20090286983-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 NUDT1 1376/4885PRKCQ 337/4885JAK2 107/4885
US-20090005377-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 NUDT1 1376/4885PRKCQ 337/4885JAK2 107/4885

“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.