Sugi Predict

Sugi Predict / Compounds / SCHEMBL3875465

SCHEMBL3875465

SCHEMBL3875465

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccccc2C(C(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)C2CCNCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 12/20 0.49
▸ MAPK12 P53778 5/20 0.49
▸ MAPK13 O15264 3/20 0.49
▸ MAPK11 Q15759 3/20 0.49
▸ DDR2 Q16832 1/20 0.49
▸ PTK2B Q14289 5/20 0.47
▸ PTK2 Q05397 3/20 0.46
▸ GSK3A P49840 2/20 0.46
▸ HCK P08631 1/20 0.45
▸ SRC P12931 1/20 0.45
▸ SYK P43405 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ BRAF P15056 1/20 0.45

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
SCHEMBL3887113 0.93 MAPK14 (0.50) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL3874948 0.90 MAPK14 (0.51) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL3876985 0.89 MAPK14 (0.54) MAPK14MAPK12MAPK13MAPK11PTK2
SCHEMBL5833072 0.88 MAPK14 (0.51) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL3884792 0.88 MAPK14 (0.48) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL3887721 0.88 MAPK14 (0.55) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL3876811 0.88 MAPK14 (0.49) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL5826475 0.88 MAPK14 (0.52) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL3874719 0.87 MAPK14 (0.54) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL3879435 0.87 MAPK14 (0.56) MAPK14MAPK12MAPK13MAPK11DDR2

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 MAPK14 26/4885MAPK12 50/4885MAPK13 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.