SCHEMBL2931830

SCHEMBL2931830

Cc1nn(C2CCNCC2)c2nc(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)c12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.48
MAPK11 Q15759 6/20 0.48
MAPK13 O15264 3/20 0.48
MAPK12 P53778 3/20 0.48
RAF1 P04049 1/20 0.44
MAPK9 P45984 1/20 0.44
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41
BRD4 O60885 2/20 0.40
BRD2 P25440 1/20 0.40
BRD3 Q15059 1/20 0.40
BRDT Q58F21 1/20 0.40

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
SCHEMBL1386518 0.84 MAPK14 (0.48) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL2925072 0.81 NR3C1 (0.46) MAPK14MAPK11
SCHEMBL1384469 0.79 MAPK14 (0.50) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL2931973 0.78 MAPK14 (0.53) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL1386545 0.73 MAPK14 (0.50) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL1384016 0.71 MAPK14 (0.50) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL2933985 0.71 KDM4E (0.48) MAPK14RAF1CSNK1A1CSNK1DCSNK1E
SCHEMBL1383795 0.69 MAPK11 (0.60) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL1385086 0.69 RIPK3 (0.48) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL27542762 0.68 MAPK14 (0.61) MAPK14MAPK11MAPK13MAPK12RAF1

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 34/4885MAPK11 40/4885MAPK13 36/4885
US-20090286983-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 MAPK14 33/4885MAPK11 40/4885MAPK13 37/4885
US-20090005377-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 MAPK14 33/4885MAPK11 40/4885MAPK13 37/4885

“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.