SCHEMBL6500869

SCHEMBL6500869

CCOC(OCC)(OCC)c1ccc2c(-c3ccnc(NC4CC4)n3)c(-c3ccccc3OC)nn2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 7/20 0.42
GSK3B P49841 4/20 0.42
KDR P35968 2/20 0.42
RET P07949 1/20 0.38
AGER Q15109 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
CCNB2 O95067 2/20 0.36
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
CCNB3 Q8WWL7 2/20 0.36
MAPK8 P45983 3/20 0.36
MAPK9 P45984 3/20 0.36
MAPK10 P53779 2/20 0.36
CDK2 P24941 1/20 0.35
ERN1 O75460 1/20 0.35

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
SCHEMBL6487352 0.85 GSK3B (0.42) CDK4GSK3BKDRDRD2DRD3
SCHEMBL5875496 0.82 CSNK1D (0.45) CDK4GSK3BMAPK8MAPK9MAPK10
SCHEMBL6488212 0.73 GSK3B (0.50) CDK4GSK3BKDR
SCHEMBL5388522 0.71 MAPK14 (0.56) CDK4GSK3BMAPK8MAPK9
SCHEMBL6487572 0.70 EIF2AK2 (0.50) CDK4MAPK8MAPK9MAPK10
SCHEMBL6498415 0.68 MAPK8 (0.46) CDK4GSK3BKDRMAPK8MAPK9
SCHEMBL5875531 0.68 MAPK14 (0.54) CDK4GSK3BMAPK8MAPK9MAPK10
SCHEMBL5385928 0.65 MAPK14 (0.54) CDK4GSK3BMAPK8MAPK9MAPK10
SCHEMBL5890537 0.65 CSNK1D (0.44) CDK4GSK3BKDRCCNB2CDK1
SCHEMBL5398657 0.65 MAPK9 (0.56) CDK4GSK3BKDRMAPK8MAPK9

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 CDK4 439/4885GSK3B 3047/4885KDR 2543/4885

“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.