SCHEMBL6490443

SCHEMBL6490443

O=C(NC1CC1)c1ccc2c(-c3ccnc(NC4CC4)n3)c(-c3ccc(F)cc3)nn2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.48
MAPK8 P45983 6/20 0.48
MAPK9 P45984 5/20 0.48
CDK4 P11802 1/20 0.48
MAPK14 Q16539 4/20 0.46
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
HDAC8 Q9BY41 1/20 0.45
MCHR1 Q99705 2/20 0.44
ADRA2A P08913 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
HTR2B P41595 1/20 0.44
PRKD3 O94806 2/20 0.43
MAP4K4 O95819 2/20 0.43
MAPK1 P28482 2/20 0.43
CSNK1A1 P48729 2/20 0.43
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 0.43

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
SCHEMBL6484935 0.91 CSNK1D (0.49) CSNK1DMAPK8MAPK9CDK4MAPK14
SCHEMBL14593078 0.90 MAPK14 (0.53) CSNK1DMAPK8MAPK9CDK4MAPK14
SCHEMBL6484913 0.88 MAPK8 (0.53) CSNK1DMAPK8MAPK9CDK4MAPK14
SCHEMBL5385928 0.83 MAPK14 (0.54) CSNK1DMAPK8MAPK9CDK4MAPK14
SCHEMBL5725033 0.83 MAPK8 (0.47) CSNK1DMAPK8MAPK9CDK4MAPK14
SCHEMBL5388522 0.82 MAPK14 (0.56) CSNK1DMAPK8MAPK9CDK4MAPK14
Gw561436X SCHEMBL5382218 0.81 MAPK14 (0.57) CSNK1DMAPK8MAPK9CDK4MAPK14
SCHEMBL5726204 0.81 CSNK1D (0.51) CSNK1DMAPK8MAPK9CDK4MAPK14
SCHEMBL6501882 0.81 MAPK8 (0.43) MAPK8MAPK9CDK4MAPK14HDAC8
SCHEMBL5726162 0.80 CSNK1D (0.51) CSNK1DMAPK8MAPK9CDK4MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2005-05-19 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 (1 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-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds QDPR, DPYD, ENTPD5 CSNK1D 2789/4885MAPK8 1906/4885MAPK9 2403/4885

“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.