SCHEMBL6771597

SCHEMBL6771597

CCOc1ccc(-n2nnc(-c3ccc(F)cc3)c2-c2ccncc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.58
CACNA2D1 P54289 2/20 0.50
SRC P12931 2/20 0.47
BRAF P15056 2/20 0.47
KDR P35968 2/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK13 O15264 9/20 0.46

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
SCHEMBL6773438 0.88 MAPK14 (0.49) MAPK14SRCBRAFKDRCYP3A4
SCHEMBL6771371 0.87 SRC (0.62) MAPK14SRCBRAFKDRKDM4E
SCHEMBL6772178 0.86 MAPK14 (0.54) MAPK14SRCBRAFKDRMAPK13
SCHEMBL6768792 0.83 SRC (0.60) MAPK14SRCBRAFKDRMAPK13
SCHEMBL6769863 0.82 MAPK14 (0.47) MAPK14SRCBRAFKDRALDH1A1
SCHEMBL6769879 0.82 MAPK14 (0.47) MAPK14SRCBRAFKDRMAPK13
SCHEMBL6772362 0.80 MAPK14 (0.49) MAPK14SRCBRAFKDRMAPK13
SCHEMBL6779368 0.80 SRC (0.60) MAPK14SRCBRAFKDRMEN1
SCHEMBL6623278 0.80 SRC (0.58) MAPK14SRCBRAFKDRNPC1
SCHEMBL6774561 0.80 MAPK14 (0.63) MAPK14SRCBRAFKDRMAPK13

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 3429/4885CACNA2D1 4395/4885SRC 1940/4885

“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.