SCHEMBL6773736

SCHEMBL6773736

CCOCn1nnc(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccncn2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.59
BRD4 O60885 3/20 0.42
MAPK11 Q15759 3/20 0.38
MAPK13 O15264 2/20 0.38
MAPK12 P53778 2/20 0.38
MAP4K4 O95819 2/20 0.38
EGFR P00533 2/20 0.38
FRK P42685 2/20 0.38
MAPK9 P45984 2/20 0.38
CSNK1A1 P48729 2/20 0.38
BRDT Q58F21 3/20 0.36
KDM4E B2RXH2 1/20 0.35
PRKD3 O94806 1/20 0.35
RAF1 P04049 1/20 0.35
CYP1A2 P05177 1/20 0.35
LCK P06239 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
PRKCA P17252 1/20 0.35
CYP2C19 P33261 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
SCHEMBL6775176 0.88 MAPK14 (0.66) MAPK14BRD4MAPK11MAPK13MAPK12
SCHEMBL6772274 0.87 MAPK14 (0.60) MAPK14BRD4BRDT
SCHEMBL6779673 0.85 MAPK14 (0.62) MAPK14BRD4MAPK11MAPK13MAPK12
SCHEMBL6624696 0.84 MAPK14 (0.57) MAPK14BRD4BRDT
SCHEMBL6769842 0.83 MAPK14 (0.56) MAPK14BRD4BRDT
SCHEMBL6768633 0.83 MAPK14 (0.56) MAPK14BRD4BRDTCYP1A2
SCHEMBL6771592 0.83 MAPK14 (0.56) MAPK14BRD4MAPK11BRDT
SCHEMBL6768473 0.83 MAPK14 (0.55) MAPK14BRD4MAPK11MAPK13MAPK12
SCHEMBL6774535 0.83 MAPT (0.57) MAPK14BRD4BRDT
SCHEMBL6773952 0.83 MAPK14 (0.56) MAPK14BRD4BRDT

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 3429/4885BRD4 389/4885MAPK11 3724/4885

“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.