SCHEMBL4485583

SCHEMBL4485583

CSc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3ccccc3)c2)n1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 18/20 0.73
CDK2 P24941 16/20 0.73
MAPK1 P28482 9/20 0.73
MAP3K7 O43318 1/20 0.55
FLT3 P36888 1/20 0.55
GSK3A P49840 1/20 0.55
MAPK10 P53779 1/20 0.55
ROCK1 Q13464 1/20 0.55

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
SCHEMBL14368151 0.89 AURKA (0.69) AURKACDK2MAPK1MAP3K7FLT3
SCHEMBL12020890 0.89 AURKA (0.78) AURKACDK2MAPK1MAP3K7FLT3
SCHEMBL14252641 0.88 AURKA (0.77) AURKACDK2MAPK1MAP3K7FLT3
SCHEMBL14368149 0.87 AURKA (0.75) AURKACDK2MAPK1MAP3K7FLT3
SCHEMBL14368142 0.87 AURKA (0.84) AURKACDK2MAPK1MAP3K7FLT3
SCHEMBL12020865 0.87 AURKA (0.75) AURKACDK2MAPK1MAP3K7FLT3
SCHEMBL14252620 0.87 AURKA (0.75) AURKACDK2MAPK1MAP3K7FLT3
SCHEMBL14368140 0.85 AURKA (0.79) AURKACDK2MAPK1MAP3K7FLT3
SCHEMBL12020889 0.85 AURKA (0.73) AURKACDK2MAPK1MAP3K7FLT3
SCHEMBL14368152 0.84 AURKA (0.80) AURKACDK2MAPK1MAP3K7FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501415-B2 Selective inhibitors of ERK protein kinase and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-03-10 US disclosed
US-20060160807-A1 Selective inhibitors of ERK protein kinase and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2006-07-20 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-20060160807-A1 Selective inhibitors of ERK protein kinase and uses thereof MAP3K20, MAP4K2, MAP4K1 AURKA 832/4885CDK2 87/4885MAPK1 19/4885

“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.