SCHEMBL5740316

SCHEMBL5740316

CN1CCC(c2nc(-c3ccncc3)c([N+](=O)[O-])c(=O)n2C)CC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.39
MAPK11 Q15759 5/20 0.39
DRD2 P14416 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL5741788 0.81 MAPK14 (0.42) MAPK14MAPK11DRD2
SCHEMBL5901807 0.76 MAPK14 (0.40) MAPK14MAPK11DRD2
SCHEMBL5741461 0.75 MAPT (0.38) MAPK14MAPK11ALOX5
SCHEMBL5740391 0.73 MAPK14 (0.49) MAPK14MAPK11ALOX5
SCHEMBL5757020 0.72 CYP11B2 (0.38) MAPK14MAPK11
SCHEMBL5741723 0.71 GSK3B (0.54)
SCHEMBL5740394 0.70 MAPK11 (0.34) MAPK14MAPK11DRD2
SCHEMBL6364470 0.70 ADORA2A (0.42) MAPK14MAPK11ALOX5
SCHEMBL5753506 0.66 ALDH1A1 (0.45) MAPK14MAPK11ALOX5
SCHEMBL2077345 0.61 QDPR (0.50) MAPK14MAPK11

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-7049318-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2006-05-23 US disclosed
EP-1654250-A1 SUBSTITUTED PYRIDONES AND PYRIMIDINONES WITH ANTIINFLAMMATORY PROPERTIES AMGEN INC. (US) 2006-05-10 EP disclosed
WO-2005012286-A1 SUBSTITUTED PYRIDONES AND PYRIMIDINONES WITH ANTIINFLAMMATORY PROPERTIES AMGEN INC. (US) 2005-02-10 WO disclosed
US-20050020592-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-01-27 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-20050020592-A1 Substituted heterocyclic compounds and methods of use MYLK2, MYLK, MCL1 MAPK14 2472/4885MAPK11 1547/4885DRD2 3619/4885

“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.