SCHEMBL6772180

SCHEMBL6772180

CCOCn1nnc(-c2cccc(C(F)(F)F)c2)c1-c1ccnc(Oc2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.42
GPR55 Q9Y2T6 1/20 0.38
BRD4 O60885 2/20 0.36
BTK Q06187 1/20 0.36
KMO O15229 1/20 0.36
ADORA2A P29274 1/20 0.36
PDE10A Q9Y233 1/20 0.36
GSK3B P49841 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPK13 O15264 2/20 0.36
MAPK12 P53778 2/20 0.36
MAPK11 Q15759 2/20 0.36
PTGER4 P35408 1/20 0.36
MAPK9 P45984 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6669636 0.93 MAPK14 (0.40) MAPK14GPR55BRD4BTKKMO
SCHEMBL6670050 0.85 MAPK14 (0.44) MAPK14GPR55KMOGSK3BKDM4E
SCHEMBL6784447 0.84 MAPK14 (0.39) MAPK14KMOADORA2AGSK3BKDM4E
SCHEMBL6624696 0.84 MAPK14 (0.57) MAPK14BRD4
SCHEMBL6784449 0.83 MAPK14 (0.45) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL6772500 0.82 MAPK14 (0.56) MAPK14BRD4
SCHEMBL6768581 0.82 MAPK14 (0.44) MAPK14BRD4ALDH1A1GAASMN1; SMN2
SCHEMBL6774295 0.80 MAPK14 (0.55) MAPK14BRD4PDE10A
SCHEMBL6779687 0.80 MAPK14 (0.51) MAPK14BRD4PDE10A
SCHEMBL6773931 0.79 MAPK14 (0.54) MAPK14BRD4PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3429/4885GPR55 760/4885BRD4 389/4885

“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.