SCHEMBL4017158

SCHEMBL4017158

Cc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1-n1cc(-c2ccc(NCC3CC3)nc2)nn1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.58
HSPB1 P04792 2/20 0.57
RAF1 P04049 1/20 0.57
LYN P07948 1/20 0.57
LCK P06239 1/20 0.51
MAP2K1 Q02750 1/20 0.51
MAPK13 O15264 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51
TEK Q02763 2/20 0.49
ABL1 P00519 2/20 0.48
BCR P11274 2/20 0.48
BRAF P15056 6/20 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
SCHEMBL4017252 0.94 MAPK14 (0.59) MAPK14HSPB1RAF1LYNMAPK13
SCHEMBL4015843 0.89 BRAF (0.50) TEKABL1BCRBRAF
SCHEMBL4020940 0.86 BRAF (0.49) ABL1BCRBRAF
SCHEMBL4020006 0.83 TEK (0.70) MAPK14LCKMAP2K1TEKABL1
SCHEMBL4014122 0.82 BRAF (0.53) RAF1BRAF
SCHEMBL4016342 0.80 BRAF (0.52) MAPK14ABL1BCRBRAF
SCHEMBL4020553 0.79 TEK (0.55) MAPK14LCKMAP2K1TEKBRAF
SCHEMBL4016707 0.78 BRAF (0.49) BRAF
SCHEMBL4039879 0.78 PIM1 (0.46) ABL1BCRBRAF
SCHEMBL2086170 0.78 BRAF (0.62) 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 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 1838/4885RAF1 1684/4885

“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.