SCHEMBL3883097

SCHEMBL3883097

COc1cc(OC)nc(Oc2cccc(C(=O)C(c3ccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccc(C)cc4)cc3)C3CCNCC3)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 6/20 0.56
MAPK14 Q16539 7/20 0.48
MAPK13 O15264 5/20 0.47
MAPK12 P53778 4/20 0.46
MAPK11 Q15759 4/20 0.46
BRAF P15056 6/20 0.46
MAPK9 P45984 1/20 0.45
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL3876062 0.94 PTK2 (0.52) PTK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL5827678 0.89 PTK2 (0.48) PTK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL3886146 0.88 PTK2 (0.55) PTK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL3875234 0.87 MAPK14 (0.57) PTK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL3888915 0.86 MAPK14 (0.51) PTK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL3879461 0.86 PTK2 (0.58) PTK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL3877878 0.84 MAPK14 (0.55) PTK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL3873840 0.83 PTK2 (0.50) PTK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL3878385 0.83 MAPK14 (0.52) PTK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL5826454 0.83 MAPK14 (0.52) PTK2MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541368-B2 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-{3-[1-(1-methyl-cyclopropanecarbonyl)-piperidin-4-ylmethyl]-phenyl}-urea; use in the treatment of disease states capable of being modulated by the inhibition of p38 kinase and tumor necrosis factor (TNF) AVENTIS PHARMACEUTICALS INC. (US) 2009-06-02 US disclosed
EP-1622610-B1 1-(2H-PYRAZOL-3-YL)-3-{4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AVENTIS PHARMA INC (US) 2006-12-20 EP disclosed
US-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor AVENTIS PHARMACEUTICALS INC. (US) 2006-03-23 US disclosed
EP-1622610-A1 1-(2H-PYRAZOL-3-YL)-3- 4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL -UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS Aventis Pharmaceuticals Inc. (US) 2006-02-08 EP disclosed
WO-2004100946-A1 1- (2H-PYRAZOL -3-YL) -3YL) {4-`1- (BENZOYL) -PIPERIDIN-4-YLMETHYL!-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF IMFLAMMATIONS AVENTIS PHARMACEUTICALS INC. (US) 2004-11-25 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-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor TNF, LITAF, MAPK1 PTK2 1093/4885MAPK14 26/4885MAPK13 44/4885

“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.