SCHEMBL6897325

SCHEMBL6897325

CCOCn1nnc(-c2ccc(F)cc2)c1-c1cnc(N(C)c2ccccc2)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.53
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
SCN9A Q15858 2/20 0.32
CDC7 O00311 2/20 0.32
DAPK3 O43293 2/20 0.32
ROCK2 O75116 2/20 0.32
PRKD3 O94806 2/20 0.32
MAP4K4 O95819 2/20 0.32
PRKACA P17612 2/20 0.32
CDK2 P24941 2/20 0.32
FLT3 P36888 2/20 0.32
CLK2 P49760 2/20 0.32
GSK3B P49841 2/20 0.32
CDK9 P50750 2/20 0.32
PRKX P51817 2/20 0.32
JAK3 P52333 2/20 0.32
CDK5 Q00535 2/20 0.32
MAP4K2 Q12851 2/20 0.32
CAMK2D Q13557 2/20 0.32

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
SCHEMBL6889077 0.81 MAPK14 (0.54) MAPK14SCN9ACDC7DAPK3ROCK2
SCHEMBL6897328 0.79 MAPK14 (0.52) MAPK14PTGS2CDC7DAPK3ROCK2
SCHEMBL6608972 0.79 MAPK14 (0.56) MAPK14PTGS1PTGS2SCN9ACDK2
SCHEMBL6780701 0.73 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6780602 0.70 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6769766 0.70 MAPK14 (0.54) MAPK14SCN9ACDC7DAPK3ROCK2
SCHEMBL6772108 0.70 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6790478 0.69 MAPK14 (0.44) MAPK14CDK2GSK3BDYRK1A
SCHEMBL6786906 0.69 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL6612226 0.68 MAPK14 (0.64) MAPK14SCN9ACDC7DAPK3ROCK2

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-20030100558-A1 Triazole compounds useful in treating diseases associated with unwanted cytokine activity PROCTER & GAMBLE COMPANY, THE 2003-05-29 US claimed
US-6787555-B2 SUCH AS 4-(4-FLUOROPHENYL)-5-(2-PHENYLMETHYLAMINO)PYRIMIDIN-4-YL)-1-ETHOXYMETHYL -(1,2,3)TRIAZOLE FOR INHIBITION OF RELEASE OF INFLAMMATORY INTERLEUKINS; FOR TREATMENT OF OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, AND CONGESTIVE HEART FAILURE THE PROCTER & GAMBLE COMPANY 2004-09-07 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-20030100558-A1 Triazole compounds useful in treating diseases associated with unwanted cytokine activity IL4, IL1A, IL2 MAPK14 3429/4885PTGS1 388/4885PTGS2 798/4885

“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.