SCHEMBL6936731

SCHEMBL6936731

O=c1[nH]c(NCCCc2ncc[nH]2)nc(-c2ccncc2)c1-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 19/20 0.44
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43

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
SCHEMBL6935858 0.83 MAPK14 (0.53) NAMPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL6932163 0.80 NAMPT (0.45) NAMPT
SCHEMBL27539293 0.80 MAPK14 (0.42) MAPK13MAPK12MAPK11MAPK14
SCHEMBL6936729 0.77 QPCT (0.53) NAMPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL6935729 0.77 MAPK14 (0.44) MAPK13MAPK12MAPK11MAPK14
SCHEMBL8499581 0.76 NAMPT (0.42) NAMPTMAPK13MAPK12MAPK14
SCHEMBL7215175 0.75 NAMPT (0.44) NAMPT
SCHEMBL6934609 0.74 MAPK14 (0.51) MAPK13MAPK12MAPK11MAPK14
SCHEMBL7238327 0.73 MAPK14 (0.45) MAPK13MAPK12MAPK11MAPK14
SCHEMBL8500565 0.70 PTGS2 (0.44) NAMPT

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 8 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-1314731-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
EP-1314732-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
US-6096753-A Substituted pyrimidinone and pyridone compounds and methods of use AMGEN INC. (US) 2000-08-01 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 NAMPT 80/4885MAPK13 2250/4885MAPK12 1502/4885
US-20030073704-A1 Substituted pyridone compounds and methods of use IL6, IL1B, IL1A NAMPT 110/4885MAPK13 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.