SCHEMBL2929802

SCHEMBL2929802

CC(=O)Nc1n[nH]c2c1cc(-c1ccnc(NCC3CC3)n1)c(-c1ccc(F)cc1)[n+]2[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 4/20 0.43
MAPK12 P53778 4/20 0.43
MAPK11 Q15759 4/20 0.43
MAPK14 Q16539 4/20 0.43
MAP4K4 O95819 2/20 0.41
GSK3B P49841 2/20 0.41
PRKD3 O94806 1/20 0.41
PRKCG P05129 1/20 0.41
FGFR1 P11362 1/20 0.41
MAPK1 P28482 1/20 0.41
FLT4 P35916 1/20 0.41
FRK P42685 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
GSK3A P49840 1/20 0.41
CSNK1G2 P78368 1/20 0.41
TAOK1 Q7L7X3 1/20 0.41
MINK1 Q8N4C8 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
SCHEMBL2929634 0.83 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14MAP4K4
SCHEMBL2932245 0.81 PIK3CA (0.37) MAPK13MAPK12MAPK14GSK3BPRKCG
SCHEMBL2932336 0.70 MAP4K4 (0.49) MAPK13MAPK12MAPK11MAPK14MAP4K4
SCHEMBL1387050 0.70 MAP4K4 (0.46) MAPK13MAPK12MAPK11MAPK14MAP4K4
SCHEMBL21621308 0.69 MAPK14 (0.62) MAPK13MAPK12MAPK11MAPK14MAP4K4
SCHEMBL4408259 0.66 MAP4K4 (0.50) MAPK13MAPK12MAPK11MAPK14MAP4K4
SCHEMBL4412103 0.65 MAP4K4 (0.49) MAPK13MAPK12MAPK11MAPK14MAP4K4
SCHEMBL2927860 0.64 CSNK1D (0.54) MAPK13MAPK12MAPK11MAPK14MAP4K4
SCHEMBL2928014 0.64 MAPK14 (0.46) MAPK13MAPK12MAPK11MAPK14GSK3B
SCHEMBL2932352 0.63 GSK3B (0.40) MAPK13MAPK12MAPK11MAPK14GSK3B

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 MAPK13 36/4885MAPK12 38/4885MAPK11 40/4885
US-20090286983-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 MAPK13 37/4885MAPK12 39/4885MAPK11 40/4885
US-20090005377-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 MAPK13 37/4885MAPK12 39/4885MAPK11 40/4885

“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.