SCHEMBL3993152

SCHEMBL3993152

Nc1nc(-c2[nH]c(-c3c(Cl)cccc3Cl)nc2-c2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.45
PTGES O14684 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK13 O15264 3/20 0.42
RAF1 P04049 3/20 0.42
MAPK12 P53778 3/20 0.42
MAPK11 Q15759 3/20 0.42
MAPK9 P45984 2/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40
BRAF P15056 1/20 0.39
FASN P49327 1/20 0.38
PSMD14 O00487 1/20 0.38
PRKACA P17612 1/20 0.38
CASP6 P55212 1/20 0.38

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
SCHEMBL3989220 0.87 MAPK14 (0.52) MAPK14MAPK13RAF1MAPK12MAPK11
SCHEMBL3989294 0.83 MAPK14 (0.48) MAPK14MAPK13RAF1MAPK12MAPK11
SCHEMBL4067180 0.80 MAPK14 (0.49) MAPK14PTGESCYP2C9MAPK13RAF1
SCHEMBL4065944 0.80 MAPK14 (0.43) MAPK14PTGESCYP2C9MAPK13RAF1
SCHEMBL4067941 0.79 PRKCQ (0.44) MAPK14PTGESCYP2C9CYP2D6PRKACA
SCHEMBL3989293 0.75 MAP2K3 (0.54) MAPK14MAPK13RAF1MAPK12MAPK11
SCHEMBL3993149 0.75 MAPK14 (0.43) MAPK14MAPK13RAF1MAPK12MAPK11
SCHEMBL3989359 0.75 MAPK14 (0.57) MAPK14PTGESCYP2C9
SCHEMBL11633700 0.75 MAPK14 (0.57) MAPK14CYP2C9MAPK13RAF1MAPK12
SCHEMBL4558663 0.74 MAPK14 (0.46) MAPK14MAPK13RAF1MAPK12MAPK11

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 4 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
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 174/4885PTGES 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.