SCHEMBL6223993

SCHEMBL6223993

O=C1NC(CCCOCc2ccccc2)Cc2[nH]c(-c3ccnc(-c4ccccc4F)c3)cc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 7/20 0.57
MAPKAPK2 P49137 12/20 0.54
CDK1 P06493 2/20 0.54
MAPKAPK3 Q16644 2/20 0.54
MAPKAPK5 Q8IW41 2/20 0.54
PLK4 O00444 1/20 0.54
MAPK13 O15264 1/20 0.54
DAPK3 O43293 1/20 0.54
DYRK3 O43781 1/20 0.54
RPS6KA4 O75676 1/20 0.54
PRKD3 O94806 1/20 0.54
MAP4K4 O95819 1/20 0.54
CHEK2 O96017 1/20 0.54
EGFR P00533 1/20 0.54
MET P08581 1/20 0.54
PIM1 P11309 1/20 0.54
RPS6KB1 P23443 1/20 0.54
MAPK1 P28482 1/20 0.54
AXL P30530 1/20 0.54
KDR P35968 1/20 0.54

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
Trifluoroacetic Acid SCHEMBL6223706 0.95 CDC7 (0.52) CDC7MAPKAPK2CDK1MAPKAPK3MAPKAPK5
SCHEMBL6224007 0.90 CDC7 (0.71) CDC7MAPKAPK2CDK1MAPKAPK3MAPKAPK5
SCHEMBL6747837 0.84 MAPKAPK2 (0.53) CDC7MAPKAPK2CDK1MAPKAPK3MAPKAPK5
Trifluoroacetic Acid SCHEMBL6224214 0.82 MAPKAPK2 (0.54) CDC7MAPKAPK2CDK1MAPKAPK3MAPKAPK5
Trifluoroacetic Acid SCHEMBL6224319 0.78 MAPKAPK2 (0.58) CDC7MAPKAPK2CDK1MAPKAPK3MAPKAPK5
SCHEMBL6223709 0.77 PLK4 (0.35) CDC7MAPKAPK2CDK1MAPKAPK3MAPKAPK5
SCHEMBL6224323 0.77 MAPKAPK2 (0.56) CDC7MAPKAPK2CDK1MAPKAPK3MAPKAPK5
SCHEMBL4513746 0.73 CDC7 (1.00) CDC7MAPKAPK2CDK1MAPKAPK3MAPKAPK5
SCHEMBL4513750 0.73 CDC7 (1.00) CDC7MAPKAPK2CDK1MAPKAPK3MAPKAPK5
SCHEMBL4518010 0.73 CDC7 (0.75) CDC7MAPKAPK2CDK1MAPKAPK3MAPKAPK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572693-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS Pharmacia Corporation (US) 2005-09-14 EP disclosed
US-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds PHARMACIA CORPORATION 2004-10-21 US disclosed
WO-2004058762-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS PHARMACIA CORPORATION (US) 2004-07-15 WO 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 CDC7 277/4885MAPKAPK2 1/4885CDK1 112/4885

“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.