SCHEMBL3876567

SCHEMBL3876567

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(CC3CCN(C(=O)c4ccc5cc[nH]c5c4)CC3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.54
CHRNA7 P36544 1/20 0.51
PTK2B Q14289 1/20 0.51
PTK2 Q05397 11/20 0.50
MAPK13 O15264 4/20 0.50
MAPK12 P53778 2/20 0.50
MAPK11 Q15759 2/20 0.50
CYP2D6 P10635 3/20 0.49
CYP2C9 P11712 2/20 0.49
MAPK9 P45984 1/20 0.48
CYP2C8 P10632 1/20 0.47

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
SCHEMBL3874739 0.95 CHRNA7 (0.56) MAPK14CHRNA7PTK2BPTK2MAPK13
SCHEMBL3886568 0.92 PTK2B (0.53) MAPK14CHRNA7PTK2BPTK2MAPK13
SCHEMBL3887861 0.89 MAPK14 (0.53) MAPK14PTK2MAPK13MAPK12MAPK11
SCHEMBL3884686 0.89 MAPK14 (0.53) MAPK14PTK2BPTK2MAPK13MAPK12
SCHEMBL3876267 0.88 PTK2B (0.56) MAPK14PTK2BMAPK13MAPK12MAPK11
SCHEMBL3878330 0.88 PTK2B (0.52) MAPK14CHRNA7PTK2BPTK2MAPK13
SCHEMBL3888923 0.88 MAPK14 (0.58) MAPK14PTK2BPTK2MAPK13MAPK12
SCHEMBL3877071 0.87 MAPK14 (0.60) MAPK14PTK2BPTK2MAPK13MAPK12
SCHEMBL3875582 0.87 MAPK14 (0.53) MAPK14PTK2BPTK2MAPK13MAPK12
SCHEMBL3879294 0.87 MAPK14 (0.62) MAPK14PTK2BPTK2MAPK13MAPK12

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 6 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 claimed
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 claimed
US-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor AVENTIS PHARMACEUTICALS INC. (US) 2006-03-23 US claimed
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

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 26/4885CHRNA7 4292/4885PTK2B 525/4885

“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.