SCHEMBL5215352

SCHEMBL5215352

CN1CCC(n2[nH]c(=O)c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 14/20 0.51
MAPK14 Q16539 14/20 0.51
MAPK13 O15264 3/20 0.45
MAPK12 P53778 3/20 0.45
DRD4 P21917 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
SCHEMBL5219347 0.88 MAPK11 (0.39) MAPK11MAPK14MAPK13MAPK12
SCHEMBL5216464 0.87 MAPK11 (0.43) MAPK11MAPK14MAPK13MAPK12
SCHEMBL5215605 0.86 KCNH2 (0.43) MAPK11MAPK14MAPK13MAPK12
SCHEMBL5215668 0.85 MAPK11 (0.39) MAPK11MAPK14MAPK13MAPK12
SCHEMBL5218274 0.82 GPR119 (0.48) MAPK11MAPK14
SCHEMBL5215301 0.80 RIPK3 (0.41) MAPK11MAPK14MAPK13MAPK12
SCHEMBL5214789 0.78 GCGR (0.46) MAPK11MAPK14MAPK13MAPK12
SCHEMBL5216880 0.77 JAK1 (0.43) MAPK11MAPK14
SCHEMBL5215378 0.74 MAPK14 (0.39) MAPK11MAPK14MAPK13MAPK12
SCHEMBL27517000 0.70 MAPK14 (0.46) MAPK11MAPK14MAPK13MAPK12

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 8 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
US-6967254-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2005-11-22 US disclosed
EP-1542680-A1 1, 4, 5-SUBSTITUTED 1, 2-DIHYDRO-PYRAZOL-3-ONE AND 3-ALKOXY-1H-PYRAZOLE DERIVATIVES S TNF-ALPHA AND INTERLEUKIN LOWERING AGENTS FOR THE TREATMENT OF INFLAMMATIONS Amgen Inc. (US) 2005-06-22 EP disclosed
US-20040058918-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2004-03-25 US disclosed
WO-2004022055-A1 1, 4, 5-SUBSTITUTED 1, 2-DIHYDRO-PYRAZOL-3-ONE AND 3-ALKOXY-1H-PYRAZOLE DERIVATIVES S TNF-ALPHA AND INTERLEUKIN LOWERING AGENTS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2004-03-18 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-20040058918-A1 Substituted heterocyclic compounds and methods of use MYLK2, MAPT, HMGB1 MAPK11 508/4885MAPK14 1197/4885MAPK13 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.