SCHEMBL2924940

SCHEMBL2924940

CN(c1nccc(-c2cc3c(NC(=O)OCc4ccccc4)n[nH]c3nc2-c2cccc(C(F)(F)F)c2)n1)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 6/20 0.41
GSK3B P49841 6/20 0.41
CDK2 P24941 1/20 0.41
MAPK14 Q16539 8/20 0.38
MAPK13 O15264 6/20 0.38
MAPK12 P53778 6/20 0.38
MAPK11 Q15759 6/20 0.38
MGLL Q99685 1/20 0.38
MAPK1 P28482 1/20 0.35
PTGES O14684 1/20 0.35
MAPK9 P45984 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
CHRM3 P20309 1/20 0.34
VCP P55072 1/20 0.34

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
SCHEMBL2932651 0.86 MAPK14 (0.40) GSK3AGSK3BCDK2MAPK14MAPK13
SCHEMBL2932325 0.86 VCP (0.47) GSK3AGSK3BCDK2MAPK14MAPK13
SCHEMBL2932911 0.85 EGFR (0.41) GSK3AGSK3BCDK2MAPK14MAPK13
SCHEMBL2930503 0.74 MAPK14 (0.44) CDK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL1385324 0.72 TOP2A (0.43) GSK3AGSK3BCDK2MAPK14MAPK13
SCHEMBL2926500 0.66 DYRK1A (0.47) CDK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL2926186 0.66 DYRK1A (0.39) GSK3AGSK3BMAPK14
SCHEMBL12033573 0.65 MGLL (0.52) MGLL
SCHEMBL13934798 0.65 DKK1 (0.49) VCP
SCHEMBL13934806 0.65 DKK1 (0.49) VCP

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 GSK3A 1871/4885GSK3B 1601/4885CDK2 69/4885
US-20090286983-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 GSK3A 2105/4885GSK3B 1958/4885CDK2 114/4885
US-20090005377-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 GSK3A 2105/4885GSK3B 1958/4885CDK2 114/4885

“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.