SCHEMBL4017252

SCHEMBL4017252

Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1-n1cc(-c2ccc(NCC3CC3)nc2)nn1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.59
HSPB1 P04792 2/20 0.59
MAPK13 O15264 1/20 0.59
MAPK12 P53778 1/20 0.59
MAPK11 Q15759 1/20 0.59
WNT1 P04628 1/20 0.51
GSK3B P49841 1/20 0.51
DYRK1A Q13627 1/20 0.51
TEK Q02763 1/20 0.51
BRAF P15056 10/20 0.51
RAF1 P04049 4/20 0.51
LYN P07948 1/20 0.50

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
SCHEMBL4017158 0.94 MAPK14 (0.58) MAPK14HSPB1MAPK13MAPK12MAPK11
SCHEMBL4014122 0.89 BRAF (0.53) BRAFRAF1
SCHEMBL4016342 0.86 BRAF (0.52) MAPK14BRAF
SCHEMBL4019824 0.83 TEK (0.71) MAPK14TEKBRAFRAF1
SCHEMBL4015843 0.82 BRAF (0.50) TEKBRAF
SCHEMBL4016675 0.80 BRAF (0.60) MAPK14MAPK13TEKBRAFRAF1
SCHEMBL4020940 0.80 BRAF (0.49) BRAF
SCHEMBL4015849 0.80 TEK (0.53) MAPK14HSPB1MAPK13MAPK12MAPK11
SCHEMBL4019413 0.80 MAPK14 (0.51) MAPK14HSPB1MAPK13MAPK12MAPK11
SCHEMBL4014507 0.79 TEK (0.55) MAPK14WNT1GSK3BDYRK1ATEK

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 MAPK14 515/4885HSPB1 1838/4885MAPK13 377/4885

“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.