SCHEMBL5740391

SCHEMBL5740391

CSc1nc(-c2ccncc2)c([N+](=O)[O-])c(=O)n1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.49
MAPK13 O15264 6/20 0.49
MAPK12 P53778 6/20 0.49
MAPK11 Q15759 6/20 0.49
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
HPGD P15428 2/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 3/20 0.36
MITF O75030 1/20 0.36
HTT P42858 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
SCHEMBL5741461 0.81 MAPT (0.38) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL6933235 0.78 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL5740316 0.73 MAPK14 (0.39) MAPK14MAPK11ALOX5
SCHEMBL27224359 0.73 ALDH1A1 (0.60) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL5792669 0.73 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL6932152 0.70 CSNK1D (0.53) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL4816410 0.70 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL5847695 0.69 ALDH1A1 (0.46) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL1843091 0.67 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL5790262 0.67 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11ALDH1A1

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 2472/4885MAPK13 1988/4885MAPK12 1370/4885

“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.