SCHEMBL6747837

SCHEMBL6747837

O=C1NC(CCCOC(=O)C(F)(F)F)Cc2[nH]c(-c3ccnc(-c4ccccc4F)c3)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 14/20 0.53
CDK1 P06493 2/20 0.53
MAPKAPK3 Q16644 2/20 0.53
MAPKAPK5 Q8IW41 2/20 0.53
PLK4 O00444 1/20 0.53
MAPK13 O15264 1/20 0.53
DAPK3 O43293 1/20 0.53
DYRK3 O43781 1/20 0.53
RPS6KA4 O75676 1/20 0.53
PRKD3 O94806 1/20 0.53
MAP4K4 O95819 1/20 0.53
CHEK2 O96017 1/20 0.53
EGFR P00533 1/20 0.53
MET P08581 1/20 0.53
PIM1 P11309 1/20 0.53
RPS6KB1 P23443 1/20 0.53
MAPK1 P28482 1/20 0.53
AXL P30530 1/20 0.53
KDR P35968 1/20 0.53
MAPK8 P45983 1/20 0.53

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
SCHEMBL6224323 0.90 MAPKAPK2 (0.56) MAPKAPK2CDK1MAPKAPK3MAPKAPK5PLK4
Trifluoroacetic Acid SCHEMBL6224214 0.87 MAPKAPK2 (0.54) MAPKAPK2CDK1MAPKAPK3MAPKAPK5PLK4
Trifluoroacetic Acid SCHEMBL6223706 0.87 CDC7 (0.52) MAPKAPK2CDK1MAPKAPK3MAPKAPK5PLK4
SCHEMBL6223993 0.84 CDC7 (0.57) MAPKAPK2CDK1MAPKAPK3MAPKAPK5PLK4
Trifluoroacetic Acid SCHEMBL6224319 0.84 MAPKAPK2 (0.58) MAPKAPK2CDK1MAPKAPK3MAPKAPK5PLK4
SCHEMBL6224007 0.77 CDC7 (0.71) MAPKAPK2CDK1MAPKAPK3MAPKAPK5PLK4
Trifluoroacetic Acid SCHEMBL6227476 0.73 MAPKAPK2 (0.84) MAPKAPK2CDK1MAPKAPK3MAPKAPK5PLK4
SCHEMBL6223709 0.73 PLK4 (0.35) MAPKAPK2CDK1MAPKAPK3MAPKAPK5PLK4
SCHEMBL15508853 0.70 MAPKAPK2 (1.00) MAPKAPK2CDK1MAPKAPK3MAPKAPK5PLK4
SCHEMBL6225761 0.70 MAPKAPK2 (0.59) MAPKAPK2CDK1MAPKAPK3MAPKAPK5PLK4

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-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds PHARMACIA CORPORATION 2004-10-21 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-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds MAPKAPK2, MAP3K2, MKNK2 MAPKAPK2 1/4885CDK1 112/4885MAPKAPK3 34/4885

“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.