SCHEMBL4122831

SCHEMBL4122831

CC(C)(C)CNc1nc(-c2[nH]c(C(C)(C)C)nc2-c2ccccc2)ccc1[N+](=O)[O-].CC(C)(C)CNc1nc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
MAPK14 Q16539 4/20 0.42
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.35
GSR P00390 1/20 0.33
TXNRD1 Q16881 1/20 0.33
BRAF P15056 6/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FGFR4 P22455 1/20 0.32
TGFBR1 P36897 1/20 0.32
MTOR P42345 1/20 0.32

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
SCHEMBL3992567 0.94 MAPK14 (0.45) MAPTMAPK14KMT2ABRAFKDM4E
SCHEMBL3992075 0.85 MAPK14 (0.51) MAPTMAPK14KMT2ABRAFLMNA
SCHEMBL4067180 0.82 MAPK14 (0.49) MAPTMAPK14KMT2A
SCHEMBL4064671 0.82 PRKCQ (0.45) MAPK14
SCHEMBL4067901 0.80 BRAF (0.38) MAPK14KMT2ABRAF
SCHEMBL3989359 0.79 MAPK14 (0.57) MAPK14
SCHEMBL3997933 0.79 MAPK14 (0.51) MAPK14
SCHEMBL3992174 0.78 KMT2A (0.36) MAPTKMT2AKDM4ELMNAHPGD
SCHEMBL3995132 0.78 MAPT (0.62) MAPTHTTKMT2AGSRTXNRD1
SCHEMBL4067386 0.77 MAPK14 (0.53) MAPK14KMT2ABRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318443-A1 KINASE INHIBITORS BONJOUKLIAN ROSANNE 2009-12-24 US disclosed
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 (2 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 MAPT 2655/4885MAPK14 174/4885HTT 4681/4885
US-20090318443-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 MAPT 2655/4885MAPK14 174/4885HTT 4681/4885

“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.