SCHEMBL5439136

SCHEMBL5439136

c1ccn2nc(C3CC3)c(-c3ccnc(NC4CCCC4)n3)c2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 6/20 0.74
MAPK10 P53779 3/20 0.74
PDE4B Q07343 1/20 0.74
PDE10A Q9Y233 1/20 0.74
GSK3B P49841 6/20 0.51
CDK2 P24941 4/20 0.51
CDK4 P11802 4/20 0.48
KDR P35968 3/20 0.46
RET P07949 1/20 0.45
MAPK8 P45983 5/20 0.44
CCNB2 O95067 2/20 0.44
CDK1 P06493 2/20 0.44
CCNB1 P14635 2/20 0.44
CCNB3 Q8WWL7 2/20 0.44
CCNE1 P24864 1/20 0.44
CDC7 O00311 1/20 0.44
PLK4 O00444 1/20 0.44
JAK2 O60674 1/20 0.44
MAP4K4 O95819 1/20 0.44
INSR P06213 1/20 0.44

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
SCHEMBL12897963 0.96 MAPK9 (0.73) MAPK9MAPK10PDE4BPDE10AGSK3B
SCHEMBL5209413 0.87 MAPK9 (0.55) MAPK9MAPK10PDE4BPDE10AGSK3B
SCHEMBL13044398 0.85 MAPK9 (1.00) MAPK9MAPK10PDE4BPDE10AGSK3B
SCHEMBL5430843 0.83 MAPK9 (0.59) MAPK9MAPK10PDE4BPDE10AGSK3B
SCHEMBL5432806 0.82 MAPK9 (0.50) MAPK9MAPK10PDE4BPDE10AGSK3B
SCHEMBL5422622 0.81 MAPK9 (0.50) MAPK9MAPK10PDE4BPDE10AGSK3B
SCHEMBL13044530 0.81 PDE4B (0.59) MAPK9MAPK10PDE4BPDE10AGSK3B
SCHEMBL5426757 0.81 MAPK9 (0.52) MAPK9MAPK10PDE4BPDE10AGSK3B
SCHEMBL5426190 0.81 MAPK9 (0.56) MAPK9MAPK10PDE4BPDE10AGSK3B
SCHEMBL5427918 0.81 MAPK9 (0.52) MAPK9MAPK10PDE4BPDE10AGSK3B

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7153863-B2 Therapeutic compounds based on pyrazolopyridline derivatives SMITHKLINE BEECHAM CORPORATION (US) 2006-12-26 US claimed
US-20050282842-A1 Therapeutic compounds based on pyrazolopyridine derivatives SMITHKLINE BEECHAM CORPORATION 2005-12-22 US claimed
US-20110039873-A1 SUBSTITUTED PYRAZOLO[1,5-a] PYRIDINE COMPOUNDS HAVING MULTI-TARGET ACTIVITY MEDICINOVA, INC. 2011-02-17 US disclosed
WO-2010144416-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIDINE COMPOUNDS HAVING MULTI-TARGET ACTIVITY GAETA FEDERICO C A (US) 2010-12-16 WO disclosed
US-20070112014-A1 Therapeutic Compounds Based on Pyrazolopyridine GUDMUNDSSON KRISTJAN S 2007-05-17 US disclosed
US-20070112014-A1 Therapeutic Compounds Based on Pyrazolopyridine GUDMUNDSSON KRISTJAN S 2007-05-17 US disclosed
US-20070112014-A1 Therapeutic Compounds Based on Pyrazolopyridine GUDMUNDSSON KRISTJAN S 2007-05-17 US disclosed
US-7153863-B2 Therapeutic compounds based on pyrazolopyridline derivatives SMITHKLINE BEECHAM CORPORATION (US) 2006-12-26 US disclosed
US-20050282842-A1 Therapeutic compounds based on pyrazolopyridine derivatives SMITHKLINE BEECHAM CORPORATION 2005-12-22 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-20050282842-A1 Therapeutic compounds based on pyrazolopyridine derivatives CYP3A5, QDPR, DPYD MAPK9 1045/4885MAPK10 2246/4885PDE4B 77/4885
US-20110039873-A1 SUBSTITUTED PYRAZOLO[1,5-a] PYRIDINE COMPOUNDS HAVING MULTI-TARGET ACTIVITY PARK7, MAPKAPK5, MAPK1 MAPK9 65/4885MAPK10 68/4885PDE4B 43/4885
US-20070112014-A1 Therapeutic Compounds Based on Pyrazolopyridine CYP3A5, QDPR, DPYD MAPK9 1306/4885MAPK10 2260/4885PDE4B 64/4885

“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.