SCHEMBL2929599

SCHEMBL2929599

C[C@H](Nc1nccc(-c2cc3cn[nH]c3nc2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.68
MAPK13 O15264 15/20 0.68
MAPK12 P53778 15/20 0.68
MAPK11 Q15759 15/20 0.68
MAPK9 P45984 6/20 0.61
RAF1 P04049 3/20 0.58
RPS6KB1 P23443 2/20 0.45
ATP1A1 P05023 1/20 0.41
ATP1B1 P05026 1/20 0.41
ATP1A3 P13637 1/20 0.41
ATP1B2 P14415 1/20 0.41
ATP1A2 P50993 1/20 0.41
ATP1B3 P54709 1/20 0.41
FXYD2 P54710 1/20 0.41
ATP1A4 Q13733 1/20 0.41

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
SCHEMBL2929601 1.00 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL2933510 0.89 RPS6KB1 (0.52) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL2933513 0.89 RPS6KB1 (0.52) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7215445 0.84 MAPK14 (0.82) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7215450 0.84 MAPK14 (0.82) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL2929738 0.83 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL2929314 0.83 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7695632 0.82 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7221086 0.82 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7217284 0.82 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11MAPK9

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 11 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 claimed
EP-1611131-B1 PYRAZOLOPYRIDINE DERIVATES PALAU PHARMA SA (ES) 2010-09-15 EP claimed
US-20090005377-A1 Pyrazolopyridine Derivates PALAU PHARMA, S.A. (ES) 2009-01-01 US claimed
US-7468376-B2 Pyrazolopyridine derivates PALAU PHARMA, S.A. (ES) 2008-12-23 US claimed
US-20060167040-A1 Pyrazolopyridine derivates J. URIACH Y COMPANIA S.A. (ES) 2006-07-27 US 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 MAPK14 34/4885MAPK13 36/4885MAPK12 38/4885
US-20090286983-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 MAPK14 33/4885MAPK13 37/4885MAPK12 39/4885
US-20090005377-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 MAPK14 33/4885MAPK13 37/4885MAPK12 39/4885

“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.