SCHEMBL6773354

SCHEMBL6773354

O=C(n1nnc(-c2ccc(F)cc2)c1-c1ccncc1)n1c2ccccc2c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.45
MAPK10 P53779 1/20 0.43
EGFR P00533 1/20 0.41
RAF1 P04049 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
GSK3B P49841 1/20 0.41
MGAM O43451 1/20 0.41
AMY1A P0DUB6 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ESR1 P03372 1/20 0.40
MAPK13 O15264 2/20 0.39
MAPK12 P53778 2/20 0.39
MAPK11 Q15759 2/20 0.39
CSNK1D P48730 1/20 0.38

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
SCHEMBL6688808 0.79 MGAM (0.50) MAPK14MAPK10MGAMAMY1AGAA
SCHEMBL6622348 0.78 MAPK14 (0.50) MAPK14MAPK10GSK3BMAPK13MAPK12
SCHEMBL6614449 0.78 MAPK14 (0.53) MAPK14MAPK10GSK3BMAPK13MAPK12
SCHEMBL6623836 0.78 MAPK14 (0.50) MAPK14MAPK10GSK3BMAPK13MAPK12
SCHEMBL6778046 0.77 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6625902 0.77 MAPK14 (0.53) MAPK14MAPK10
SCHEMBL6667012 0.77 MAPK14 (0.53) MAPK14MAPK10
SCHEMBL6768240 0.76 MAPK14 (0.44) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL6626358 0.76 MAPK14 (0.48) MAPK14MAPK10GSK3BMAPK13MAPK12
SCHEMBL6771967 0.75 NPSR1 (0.43) MAPK14GAA

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 3429/4885MAPK10 4551/4885EGFR 1407/4885

“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.