SCHEMBL3989218

SCHEMBL3989218

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

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.48
CSNK1D P48730 3/20 0.44
CSNK1E P49674 3/20 0.44
CYP3A4 P08684 2/20 0.40

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
SCHEMBL4071589 0.89 MAPK14 (0.46) MAPK14CSNK1DCSNK1E
SCHEMBL3993149 0.87 MAPK14 (0.43) MAPK14
SCHEMBL4061444 0.84 MAPK14 (0.52) MAPK14CSNK1DCSNK1ECYP3A4
SCHEMBL4065944 0.76 MAPK14 (0.43) MAPK14
SCHEMBL3989220 0.75 MAPK14 (0.52) MAPK14CSNK1DCSNK1ECYP3A4
SCHEMBL3990762 0.75 MAPK14 (0.57) MAPK14CSNK1DCSNK1ECYP3A4
SCHEMBL3990758 0.72 MAP2K3 (0.54) MAPK14CSNK1DCSNK1ECYP3A4
SCHEMBL4558663 0.70 MAPK14 (0.46) MAPK14
SCHEMBL4530046 0.67 PTGES (0.40) MAPK14
SCHEMBL3997933 0.67 MAPK14 (0.51) MAPK14CSNK1DCSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582652-B2 Suppression cytokines, tumor necrosis factor; melanoma ELI LILLY AND COMPANY (US) 2009-09-01 US disclosed
EP-1713805-B1 KINASE INHIBITORS LILLY CO ELI (US) 2009-06-10 EP disclosed
US-20090036445-A1 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-02-05 US disclosed
EP-1713805-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-10-25 EP disclosed
WO-2005075478-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-08-18 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-20090036445-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.