SCHEMBL3989284

SCHEMBL3989284

CC(C)CNc1nc(-c2nc(-c3c(Cl)cccc3Cl)[nH]c2-c2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.43
PTGES O14684 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
TEK Q02763 1/20 0.36
MAPK13 O15264 3/20 0.35
MAPK12 P53778 3/20 0.35
MAPK11 Q15759 3/20 0.35
RAF1 P04049 2/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL3990897 0.84 MAPK14 (0.45) MAPK14TEKMAPK13MAPK12MAPK11
SCHEMBL4067180 0.80 MAPK14 (0.49) MAPK14PTGESCYP2C9MAPTMAPK13
SCHEMBL3997659 0.79 MAPK14 (0.48) MAPK14
SCHEMBL4067941 0.78 PRKCQ (0.44) MAPK14PTGESCYP2C9
SCHEMBL3989359 0.75 MAPK14 (0.57) MAPK14PTGESCYP2C9
SCHEMBL989245 0.75 MAPK14 (0.47) MAPK14PTGESCYP2C9
SCHEMBL4061072 0.73 MAPK14 (0.55) MAPK14PTGESCYP2C9MAPTTEK
SCHEMBL4530046 0.73 PTGES (0.40) MAPK14PTGESCYP2C9MAPTTEK
SCHEMBL3993152 0.72 MAPK14 (0.45) MAPK14PTGESCYP2C9MAPTMAPK13
SCHEMBL3992192 0.71 MAPK14 (0.45) MAPK14CYP2C9MAPTMAPK13MAPK12

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
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

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 174/4885PTGES 3473/4885CYP2C9 3008/4885

“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.