Sugi Predict

Sugi Predict / Compounds / SCHEMBL3877650

SCHEMBL3877650

SCHEMBL3877650

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc(C(C(=O)COc3ccccc3)C3CCNCC3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 14/20 0.56
▸ MAPK12 P53778 12/20 0.56
▸ MAPK13 O15264 11/20 0.56
▸ MAPK11 Q15759 11/20 0.56
▸ BRAF P15056 6/20 0.52
▸ MAPK9 P45984 1/20 0.49
▸ RAF1 P04049 1/20 0.49
▸ LCK P06239 1/20 0.49
▸ RET P07949 1/20 0.49
▸ PDGFRB P09619 1/20 0.49
▸ KIT P10721 1/20 0.49
▸ PDGFRA P16234 1/20 0.49
▸ FLT1 P17948 1/20 0.49
▸ KDR P35968 1/20 0.49

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
SCHEMBL3876869 0.94 MAPK14 (0.55) MAPK14MAPK12MAPK13MAPK11BRAF
SCHEMBL3995146 0.93 MAPK14 (0.54) MAPK14MAPK12MAPK13MAPK11BRAF
SCHEMBL3886470 0.93 MAPK14 (0.57) MAPK14MAPK12MAPK13MAPK11BRAF
SCHEMBL3883576 0.91 MAPK14 (0.54) MAPK14MAPK12MAPK13MAPK11BRAF
SCHEMBL3876485 0.90 MAPK14 (0.59) MAPK14MAPK12MAPK13MAPK11
SCHEMBL3879570 0.90 BRAF (0.50) MAPK14MAPK12MAPK13MAPK11BRAF
SCHEMBL3875423 0.88 MAPK14 (0.56) MAPK14MAPK12MAPK13MAPK11
SCHEMBL3880829 0.88 MAPK14 (0.55) MAPK14MAPK12MAPK13MAPK11BRAF
SCHEMBL3879704 0.87 MAPK14 (0.52) MAPK14MAPK12MAPK13MAPK11BRAF
SCHEMBL3878556 0.87 MAPK14 (0.54) MAPK14MAPK12MAPK13MAPK11BRAF

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-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
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.