SCHEMBL4016376

SCHEMBL4016376

Cc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1-n1cc(-c2cnn(-c3ccccc3)c2C)nn1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TEK Q02763 3/20 0.52
MAPK14 Q16539 11/20 0.48
LCK P06239 1/20 0.48
MAP2K1 Q02750 1/20 0.48
BRAF P15056 3/20 0.45
RAF1 P04049 2/20 0.44
HSPB1 P04792 1/20 0.44
LYN P07948 1/20 0.44
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44

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
SCHEMBL4014130 0.94 TEK (0.54) TEKMAPK14BRAFRAF1HSPB1
SCHEMBL4013457 0.89 TEK (0.52) TEKBRAFRAF1ABL1BCR
SCHEMBL4017103 0.85 MAPK14 (0.45) TEKMAPK14BRAFABL1BCR
SCHEMBL4016845 0.83 BRAF (0.51) MAPK14BRAFRAF1
SCHEMBL4020006 0.82 TEK (0.70) TEKMAPK14LCKMAP2K1BRAF
SCHEMBL4016852 0.80 TEK (0.52) TEKMAPK14BRAFRAF1HSPB1
SCHEMBL4017503 0.79 MAPK14 (0.50) MAPK14BRAFRAF1
SCHEMBL4017398 0.78 TEK (0.52) TEKMAPK14LCKMAP2K1BRAF
SCHEMBL4020553 0.78 TEK (0.55) TEKMAPK14LCKMAP2K1BRAF
SCHEMBL4022855 0.77 NPC1 (0.48) 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 TEK 976/4885MAPK14 515/4885LCK 970/4885

“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.