SCHEMBL14712906

SCHEMBL14712906

O=C(O)CCC(=O)OCCSc1nc(-c2ccnc(NCc3ccccc3)c2)c(-c2ccc(F)cc2)[nH]1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.68
MAPK13 O15264 8/20 0.68
MAPK12 P53778 8/20 0.68
MAPK11 Q15759 8/20 0.68
GSK3B P49841 4/20 0.58
EGFR P00533 3/20 0.57
GSK3A P49840 1/20 0.56

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
SCHEMBL14713010 0.88 MAPK14 (0.63) MAPK14GSK3BEGFR
SCHEMBL14712896 0.86 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL18722209 0.82 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL19538555 0.82 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11
SCHEMBL12424732 0.81 MAPK14 (0.75) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL13712661 0.79 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL14713016 0.79 MAPK14 (0.60) MAPK14EGFR
SCHEMBL4474372 0.78 MAPK14 (0.93) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL19538518 0.75 MAPK14 (0.68) MAPK14EGFR
SCHEMBL828140 0.75 MAPK14 (0.93) MAPK14MAPK13MAPK12MAPK11

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-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2013-02-21 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-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER MAP3K10, MAP3K12, MAP3K20 MAPK14 53/4885MAPK13 71/4885MAPK12 22/4885

“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.