SCHEMBL4071589

SCHEMBL4071589

O=[N+]([O-])c1[c]nc(-c2[nH]c(-c3c(F)cccc3F)nc2-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.46
CSNK1D P48730 3/20 0.44
CSNK1E P49674 3/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK13 O15264 1/20 0.39
RAF1 P04049 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39

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
SCHEMBL3989218 0.89 MAPK14 (0.48) MAPK14CSNK1DCSNK1E
SCHEMBL4065944 0.87 MAPK14 (0.43) MAPK14KMT2AMEN1CYP1A2CYP2D6
SCHEMBL4061444 0.82 MAPK14 (0.52) MAPK14CSNK1DCSNK1EMAPK13RAF1
SCHEMBL3989220 0.80 MAPK14 (0.52) MAPK14CSNK1DCSNK1EKMT2AMEN1
SCHEMBL4530046 0.78 PTGES (0.40) MAPK14KMT2AMEN1CYP1A2CYP2D6
SCHEMBL3993149 0.76 MAPK14 (0.43) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL3997933 0.73 MAPK14 (0.51) MAPK14CSNK1DCSNK1EMAPK13RAF1
SCHEMBL3990762 0.72 MAPK14 (0.57) MAPK14CSNK1DCSNK1EMAPK13RAF1
SCHEMBL4063490 0.72 PRKCQ (0.44) MAPK14
SCHEMBL3990758 0.70 MAP2K3 (0.54) MAPK14CSNK1DCSNK1EMAPK13RAF1

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-20090318443-A1 KINASE INHIBITORS BONJOUKLIAN ROSANNE 2009-12-24 US disclosed
EP-1713805-B1 KINASE INHIBITORS LILLY CO ELI (US) 2009-06-10 EP 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-20090318443-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 MAPK14 174/4885CSNK1D 120/4885CSNK1E 54/4885

“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.