SCHEMBL6772797

SCHEMBL6772797

COC(=O)c1ccc(-n2nnc(-c3ccc(F)cc3)c2-c2ccncc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.54
MAPK13 O15264 2/20 0.54
MAPK12 P53778 2/20 0.54
MAPK11 Q15759 2/20 0.54
ALOX5 P09917 2/20 0.54
GCGR P47871 1/20 0.54
IDO1 P14902 1/20 0.52
TDO2 P48775 1/20 0.52
DYRK1A Q13627 1/20 0.49
CSNK1D P48730 1/20 0.46
DHODH Q02127 1/20 0.45
SRC P12931 1/20 0.43
BRAF P15056 1/20 0.43
KDR P35968 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
CA9 Q16790 2/20 0.43
MAP2K4 P45985 1/20 0.43
ALDH1A1 P00352 1/20 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
SCHEMBL6772178 0.84 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11IDO1
SCHEMBL6771371 0.82 SRC (0.62) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL6768792 0.81 SRC (0.60) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6772362 0.78 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6779368 0.78 SRC (0.60) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6772267 0.78 PTGS2 (0.56) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL6769879 0.78 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11IDO1
SCHEMBL6623278 0.78 SRC (0.58) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL6774561 0.78 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL6773296 0.78 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11ALOX5

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
CN-1505625-A Triazole compounds useful in treating diseases associated with unwanted cytokine activity 2004-06-16 CN claimed
US-6727364-B2 ANTIINFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY 2004-04-27 US claimed
US-20030013712-A1 Triazole compounds useful in treating diseases associated with unwanted cytokine activity PROCTER & GAMBLE COMPANY, THE 2003-01-16 US claimed
US-6727364-B2 ANTIINFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY 2004-04-27 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-20030013712-A1 Triazole compounds useful in treating diseases associated with unwanted cytokine activity IL4, IL1A, IL2 MAPK14 3429/4885MAPK13 4097/4885MAPK12 4447/4885

“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.