SCHEMBL2930503

SCHEMBL2930503

CN(c1nccc(-c2cc3cn[nH]c3nc2-c2cccc(C(F)(F)F)c2)n1)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.44
MAPK13 O15264 12/20 0.44
MAPK12 P53778 12/20 0.44
MAPK11 Q15759 12/20 0.44
DYRK1A Q13627 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
RPS6KA3 P51812 1/20 0.42
TGFBR1 P36897 2/20 0.40
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
MAPK9 P45984 4/20 0.40
EPHX2 P34913 1/20 0.39
RAF1 P04049 2/20 0.38
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL2926500 0.87 DYRK1A (0.47) MAPK14MAPK13MAPK12MAPK11DYRK1A
SCHEMBL2926542 0.81 CCNT1 (0.58) MAPK14MAPK13MAPK12MAPK11DYRK1A
SCHEMBL1384875 0.81 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL2930866 0.81 PDE4B (0.45) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL29652640 0.80 MAPK13 (0.47) MAPK14MAPK13MAPK12MAPK11CSNK1A1
SCHEMBL2930500 0.80 MAPK13 (0.47) MAPK14MAPK13MAPK12MAPK11CSNK1A1
SCHEMBL1384726 0.79 TGFBR1 (0.41) MAPK14MAPK13MAPK12MAPK11CSNK1A1
SCHEMBL2929314 0.79 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11CSNK1A1
SCHEMBL29652657 0.78 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11CSNK1A1
SCHEMBL29893846 0.76 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11CSNK1A1

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.