SCHEMBL6774527

SCHEMBL6774527

CCOCn1nnc(-c2ccc(F)cc2)c1-c1ccnc(Sc2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.59
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
CSNK1E P49674 2/20 0.42
CDK5 Q00535 2/20 0.42
CDK5R1 Q15078 2/20 0.42
CSNK1D P48730 1/20 0.38
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
HASPIN Q8TF76 1/20 0.36
MAPK13 O15264 4/20 0.35
MAPK12 P53778 4/20 0.35
MAPK11 Q15759 4/20 0.35
SCN9A Q15858 1/20 0.35
PIK3CA P42336 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
SCHEMBL6610736 0.87 MAPK14 (0.61) MAPK14CCNA2CDK2CSNK1ECDK5
SCHEMBL6790904 0.83 MAPK14 (0.64) MAPK14CCNA2CDK2CSNK1ECDK5
SCHEMBL6624696 0.82 MAPK14 (0.57) MAPK14SCN9A
SCHEMBL6775564 0.81 MAPK14 (0.56) MAPK14PIK3CA
SCHEMBL6781430 0.81 MAPK14 (0.56) MAPK14CDK2MAPK13MAPK12MAPK11
SCHEMBL6608972 0.81 MAPK14 (0.56) MAPK14CDK2MAPK13MAPK12MAPK11
SCHEMBL6772997 0.80 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11SCN9A
SCHEMBL6608979 0.80 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6779673 0.80 MAPK14 (0.62) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL6613247 0.79 MAPK14 (0.61) MAPK14CCNA2CDK2CSNK1ECDK5

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 3429/4885CCNA2 2779/4885CDK2 3418/4885

“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.