SCHEMBL4022145

SCHEMBL4022145

COc1c(NS(C)(=O)=O)cc(C(C)(C)C)cc1C(=O)Nc1ccc(C)c(-n2cc(-c3ccc(N(C)C4CC4)nc3)nn2)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.41
ABL1 P00519 4/20 0.39
BCR P11274 3/20 0.39
EGFR P00533 1/20 0.38
RAF1 P04049 1/20 0.38
LYN P07948 1/20 0.38
EPHA2 P29317 1/20 0.38
EPHA3 P29320 1/20 0.38
AKT1 P31749 1/20 0.38
MAPK9 P45984 1/20 0.38

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
SCHEMBL4022149 0.85 BRAF (0.44) BRAF
SCHEMBL4020023 0.83 ABL1 (0.46) BRAFABL1BCR
SCHEMBL4015095 0.83 BRAF (0.48) BRAF
SCHEMBL4018973 0.82 BRAF (0.40) BRAF
SCHEMBL4022140 0.81 BRAF (0.39) BRAF
SCHEMBL4018023 0.81 GPR142 (0.39) BRAF
SCHEMBL4030694 0.80 BRAF (0.48) BRAF
SCHEMBL304159 0.80 BRAF (0.44) BRAF
SCHEMBL4016689 0.80 BRAF (0.39) BRAF
SCHEMBL4013711 0.80 BRAF (0.38) BRAF

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 2 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-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 2640/4885ABL1 1827/4885BCR 460/4885

“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.