SCHEMBL6936726

SCHEMBL6936726

CCC(Nc1nc(-c2ccncc2)c(-c2ccc(F)cc2)c(=O)[nH]1)n1ccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.47
MAPK13 O15264 4/20 0.47
MAPK12 P53778 4/20 0.47
MAPK11 Q15759 4/20 0.47
CYP17A1 P05093 3/20 0.43
RIPK3 Q9Y572 2/20 0.38
ALOX5 P09917 3/20 0.37
GCGR P47871 2/20 0.37
KDM4E B2RXH2 1/20 0.37
BMPR1B O00238 1/20 0.37
MEN1 O00255 1/20 0.37
CIT O14578 1/20 0.37
GAK O14976 1/20 0.37
EPHB6 O15197 1/20 0.37
RIPK2 O43353 1/20 0.37
PIP5K1C O60331 1/20 0.37
PDE5A O76074 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL6932171 0.81 CYP17A1 (0.43) MAPK14MAPK13MAPK12MAPK11CYP17A1
SCHEMBL8499579 0.76 MAPK9 (0.39) MAPK14MAPK13MAPK12MAP4K4EGFR
SCHEMBL6936729 0.75 QPCT (0.53) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL6934609 0.74 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL7215168 0.73 CYP17A1 (0.46) MAPK14MAPK13MAPK12MAPK11CYP17A1
SCHEMBL6931340 0.73 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL6934304 0.71 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL7210440 0.71 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7238327 0.69 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11RIPK3
SCHEMBL6933891 0.69 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11ALOX5

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6649604-B2 Analgesics; antidiabetic agents; antiinflamamtory agents AMGEN INC. 2003-11-18 US disclosed
US-6610698-B2 Treatment of tumor necrosis factor-alpha, interleukin-1 beta, interleukin-6, and interleukin-8 mediated diseases AMGEN, INC. 2003-08-26 US disclosed
EP-1314732-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
EP-1314731-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
US-20030073704-A1 Substituted pyridone compounds and methods of use AMGEN INC. 2003-04-17 US disclosed
US-20030069425-A1 Substituted pyrimidine compounds and methods of use AMGEN INC. 2003-04-10 US disclosed
US-6410729-B1 ANALGESICS; ANTIDIABETIC AGENTS; ANTIINFLAMMATORY AGENTS AMGEN INC. 2002-06-25 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 (2 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-20030069425-A1 Substituted pyrimidine compounds and methods of use DPYD, IL6, IL1B MAPK14 2062/4885MAPK13 2250/4885MAPK12 1502/4885
US-20030073704-A1 Substituted pyridone compounds and methods of use IL6, IL1B, IL1A MAPK14 1169/4885MAPK13 1577/4885MAPK12 1127/4885

“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.