SCHEMBL4018951

SCHEMBL4018951

Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1-n1cc(C(=O)NCC(C)(C)C)nn1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.53
RAF1 P04049 8/20 0.53
MAPK14 Q16539 9/20 0.52
MAPK13 O15264 1/20 0.52
HSPB1 P04792 1/20 0.52
MAPK12 P53778 1/20 0.52
MAPK11 Q15759 1/20 0.52
TEK Q02763 1/20 0.51

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
SCHEMBL4015201 0.83 MAPK14 (0.59) BRAFRAF1MAPK14MAPK13HSPB1
SCHEMBL4782241 0.82 RAF1 (0.44) BRAFRAF1MAPK14HSPB1TEK
SCHEMBL4022537 0.81 TEK (0.53) BRAFRAF1MAPK14TEK
SCHEMBL4018889 0.80 TEK (0.52) BRAFRAF1MAPK14TEK
SCHEMBL4014507 0.79 TEK (0.55) BRAFRAF1MAPK14TEK
SCHEMBL4019824 0.79 TEK (0.71) BRAFRAF1MAPK14TEK
SCHEMBL4420764 0.78 BRAF (0.61) BRAFRAF1MAPK14MAPK13HSPB1
SCHEMBL4015849 0.77 TEK (0.53) BRAFRAF1MAPK14MAPK13HSPB1
SCHEMBL4018672 0.77 TEK (0.60) BRAFRAF1MAPK14TEK
SCHEMBL12764085 0.77 MAPK14 (0.69) BRAFRAF1MAPK14MAPK13HSPB1

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.