SCHEMBL4016845

SCHEMBL4016845

Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1-n1cc(-c2cnn(-c3ccccc3)c2C)nn1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.51
RAF1 P04049 3/20 0.51
MAPK14 Q16539 5/20 0.48
MAPK8 P45983 2/20 0.48
MAPK10 P53779 2/20 0.48
MAPK13 O15264 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48

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
SCHEMBL4013457 0.93 TEK (0.52) BRAFRAF1
SCHEMBL4017503 0.91 MAPK14 (0.50) BRAFRAF1MAPK14
SCHEMBL4014130 0.90 TEK (0.54) BRAFRAF1MAPK14MAPK13MAPK12
SCHEMBL4017103 0.84 MAPK14 (0.45) BRAFMAPK14
SCHEMBL4022086 0.83 BRAF (0.60) BRAFRAF1MAPK14
SCHEMBL4016376 0.83 TEK (0.52) BRAFRAF1MAPK14
SCHEMBL4016744 0.80 BRAF (0.61) BRAFRAF1
SCHEMBL4014746 0.79 MAPK14 (0.52) BRAFRAF1MAPK14
SCHEMBL13688103 0.78 MAPK14 (0.57) BRAFMAPK14MAPK8MAPK10MAPK13
SCHEMBL4014122 0.77 BRAF (0.53) BRAFRAF1

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-7531560-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-05-12 US disclosed
US-7531560-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-05-12 US disclosed
US-7531560-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-05-12 US disclosed
US-20060100204-A1 Heterocyclic-substituted benzamide derivatives, e.g., benzyl [2-(4-{1-[5-(5-tert-Butyl-3-methanesulfonylamino-2-methoxy-phenylcarbamoyl)-2-methyl-phenyl]-1H-1,2,3-triazol-4-yl}-2-phenyl-2H-pyrazol-3-yl)-ethyl]-carbamate; inhibit production of cytokines; useful for treating chronic inflammatory disease. BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-05-11 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-20060100204-A1 Heterocyclic-substituted benzamide derivatives, e.g., benzyl [2-(4-{1-[5-(5-tert-Butyl-3-methanesulfonylamino-2-methoxy-phenylcarbamoyl)-2-methyl-phenyl]-1H-1,2,3-triazol-4-yl}-2-phenyl-2H-pyrazol-3-yl)-ethyl]-carbamate; inhibit production of cytokines; useful for treating chronic inflammatory disease. NFKBIA, CHUK, IL1B BRAF 2640/4885RAF1 1684/4885MAPK14 515/4885

“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.