SCHEMBL6603309

SCHEMBL6603309

CCOCn1nnc(-c2ccc(F)cc2)c1-c1cnc(NC(C)c2ccccc2)n1C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 12/20 0.56
ATP1B1 P05026 12/20 0.56
ATP1A3 P13637 12/20 0.56
ATP1B2 P14415 12/20 0.56
ATP1A2 P50993 12/20 0.56
ATP1B3 P54709 12/20 0.56
FXYD2 P54710 12/20 0.56
ATP1A4 Q13733 12/20 0.56
MAPK14 Q16539 8/20 0.52
MAPK13 O15264 2/20 0.43
MAPK12 P53778 2/20 0.43
MAPK11 Q15759 2/20 0.43

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
SCHEMBL6645694 0.84 GAA (0.61) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6615969 0.81 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6615964 0.81 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6784607 0.80 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6784602 0.80 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6769766 0.79 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6780577 0.79 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6780574 0.79 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6617172 0.77 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6780737 0.77 GAA (0.61) MAPK14

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
EP-1392681-A1 TRIAZOLE COMPOUNDS USEFUL IN TREATING DISEASES ASSOCIATED WITH UNWANTED CYTOKINE ACTIVITY THE PROCTER & GAMBLE COMPANY (US) 2004-03-03 EP claimed
US-20030100558-A1 Triazole compounds useful in treating diseases associated with unwanted cytokine activity PROCTER & GAMBLE COMPANY, THE 2003-05-29 US claimed
WO-2002088113-A1 TRIAZOLE COMPOUNDS USEFUL IN TREATING DISEASES ASSOCIATED WITH UNWANTED CYTOKINE ACTIVITY THE PROCTER & GAMBLE COMPANY (US) 2002-11-07 WO claimed
US-6787555-B2 SUCH AS 4-(4-FLUOROPHENYL)-5-(2-PHENYLMETHYLAMINO)PYRIMIDIN-4-YL)-1-ETHOXYMETHYL -(1,2,3)TRIAZOLE FOR INHIBITION OF RELEASE OF INFLAMMATORY INTERLEUKINS; FOR TREATMENT OF OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, AND CONGESTIVE HEART FAILURE THE PROCTER & GAMBLE COMPANY 2004-09-07 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-20030100558-A1 Triazole compounds useful in treating diseases associated with unwanted cytokine activity IL4, IL1A, IL2 ATP1A1 1207/4885ATP1B1 1374/4885ATP1A3 2464/4885

“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.