SCHEMBL5645752

SCHEMBL5645752

COc1ccc(OC(F)(F)F)cc1NC(=O)Nc1ccc(Oc2cc(C)nc(NCCN3CCOCC3)n2)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.54
MAPK13 O15264 1/20 0.54
MAPK12 P53778 1/20 0.54
MAPK11 Q15759 1/20 0.54
SRC P12931 15/20 0.49
GSK3A P49840 15/20 0.49
SYK P43405 14/20 0.49

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
SCHEMBL5623634 0.96 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11SRC
SCHEMBL5622531 0.94 GSK3A (0.47) MAPK14MAPK13MAPK12MAPK11SRC
SCHEMBL5622560 0.90 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11SRC
SCHEMBL8271233 0.89 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11SRC
SCHEMBL13941144 0.88 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11SRC
SCHEMBL6305403 0.88 GSK3A (0.58) MAPK14MAPK13MAPK12MAPK11SRC
SCHEMBL5623931 0.88 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11SRC
SCHEMBL5623330 0.86 GSK3A (0.47) MAPK14MAPK12SRCGSK3ASYK
SCHEMBL5623611 0.86 HSP90AA1 (0.46) MAPK14MAPK13MAPK12MAPK11GSK3A
SCHEMBL5622047 0.85 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11SRC

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2116245-A2 EGFR kinase inhibitor combinations for treating respiratory and gastrointestinal disorders Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP disclosed
US-7279475-B2 Fluorinated di-aryl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-09 US disclosed
US-7279475-B2 Fluorinated di-aryl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-09 US disclosed
US-7279475-B2 Fluorinated di-aryl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-09 US disclosed
US-6872726-B2 Fluorinated di-aryl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-03-29 US disclosed
WO-2005018624-A2 METHODS OF TREATING COPD AND PULMONARY HYPERTENSION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-03-03 WO disclosed
US-20050032797-A1 Fluorinated di-aryl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-10 US disclosed
US-20040077647-A1 Cytokine inhibitors, antiinflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-04-22 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 (2 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-20040077647-A1 Cytokine inhibitors, antiinflammatory agents IL1B, IL1A, TNF MAPK14 1398/4885MAPK13 1911/4885MAPK12 1832/4885
US-20050032797-A1 Fluorinated di-aryl urea compounds IL1B, MPO, IL1A MAPK14 1915/4885MAPK13 1694/4885MAPK12 2202/4885

“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.