SCHEMBL6775564

SCHEMBL6775564

CCOCn1nnc(-c2ccc(F)cc2)c1-c1ccnc(OCc2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.56
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 3/20 0.45
CASP1 P29466 3/20 0.45
CASP7 P55210 3/20 0.45
HSD17B10 Q99714 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
BRD4 O60885 1/20 0.39
MAPK1 P28482 1/20 0.37
PIK3CA P42336 1/20 0.37

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
SCHEMBL6772997 0.88 MAPK14 (0.55) MAPK14BRD4
SCHEMBL6624696 0.88 MAPK14 (0.57) MAPK14BRD4
SCHEMBL6779673 0.86 MAPK14 (0.62) MAPK14CYP1A2CYP2C9CYP2C19BRD4
SCHEMBL6771592 0.85 MAPK14 (0.56) MAPK14BRD4
SCHEMBL6774285 0.85 MAPK14 (0.58) MAPK14CYP1A2CYP2C9CYP2C19BRD4
SCHEMBL6772274 0.84 MAPK14 (0.60) MAPK14BRD4
SCHEMBL6768473 0.84 MAPK14 (0.55) MAPK14CYP1A2CYP2C9CYP2C19BRD4
SCHEMBL6608979 0.84 MAPK14 (0.55) MAPK14
SCHEMBL6775306 0.83 MAPK14 (0.59) MAPK14CYP1A2CYP2C9CYP2C19BRD4
SCHEMBL6773269 0.83 MAPK14 (0.54) MAPK14BRD4

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 3429/4885ALDH1A1 289/4885CYP1A2 188/4885

“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.