SCHEMBL5215641

SCHEMBL5215641

O=c1[nH][nH]c(-c2ccncc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.71
GCGR P47871 10/20 0.51
MAPK13 O15264 6/20 0.46
MAPK12 P53778 6/20 0.46
MAPK11 Q15759 6/20 0.46
GSK3B P49841 1/20 0.46
MET P08581 1/20 0.43
RAF1 P04049 1/20 0.42

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
SCHEMBL3555150 0.90 GCGR (0.58) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL6909011 0.83 GSK3B (0.56) MAPK14GSK3B
SCHEMBL5216102 0.83 MAPK14 (0.61) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL3561082 0.78 MAPT (0.48)
SCHEMBL196861 0.71 GCGR (0.67) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL3265916 0.70 MAPK14 (0.53) MAPK14GSK3B
SCHEMBL3558118 0.70 GCGR (0.55) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL4806075 0.70 MAPK14 (0.46) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL11778219 0.69 MAPK14 (0.53) MAPK14GSK3B
SCHEMBL10990175 0.69 MAPK14 (0.53) MAPK14GCGRGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542680-B1 1, 4, 5-SUBSTITUTED 1, 2-DIHYDRO-PYRAZOL-3-ONE AND 3-ALKOXY-1H-PYRAZOLE DERIVATIVES AS TNF-ALPHA AND INTERLEUKIN LOWERING AGENTS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC (US) 2007-03-07 EP claimed
US-6967254-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2005-11-22 US claimed
US-20040058918-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2004-03-25 US claimed
EP-1542680-B1 1, 4, 5-SUBSTITUTED 1, 2-DIHYDRO-PYRAZOL-3-ONE AND 3-ALKOXY-1H-PYRAZOLE DERIVATIVES AS TNF-ALPHA AND INTERLEUKIN LOWERING AGENTS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC (US) 2007-03-07 EP disclosed
EP-1542680-B1 1, 4, 5-SUBSTITUTED 1, 2-DIHYDRO-PYRAZOL-3-ONE AND 3-ALKOXY-1H-PYRAZOLE DERIVATIVES AS TNF-ALPHA AND INTERLEUKIN LOWERING AGENTS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC (US) 2007-03-07 EP disclosed
US-6967254-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2005-11-22 US disclosed
US-20040058918-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2004-03-25 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-20040058918-A1 Substituted heterocyclic compounds and methods of use MYLK2, MAPT, HMGB1 MAPK14 1197/4885GCGR 684/4885MAPK13 967/4885

“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.