SCHEMBL6936729

SCHEMBL6936729

O=c1[nH]c(NCCCn2ccnc2)nc(-c2ccncc2)c1-c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 5/20 0.53
POLB P06746 2/20 0.47
SCN9A Q15858 3/20 0.47
NAMPT P43490 4/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
PIM1 P11309 1/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALOX15 P16050 1/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
CYP19A1 P11511 1/20 0.41

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
SCHEMBL6932167 0.81 QPCT (0.54) QPCTPOLBSCN9ANAMPTKDM4E
SCHEMBL6935858 0.79 MAPK14 (0.53) NAMPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL27539293 0.78 MAPK14 (0.42) MAPK13MAPK12MAPK11MAPK14
SCHEMBL6936731 0.77 NAMPT (0.44) NAMPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL6936726 0.75 MAPK14 (0.47) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL6935729 0.74 MAPK14 (0.44) MEN1KMT2AMAPK13MAPK12MAPK11
SCHEMBL7993183 0.74 PIM1 (0.51) QPCTNAMPTKDM4EPIM1MEN1
SCHEMBL6934609 0.74 MAPK14 (0.51) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL7215173 0.73 QPCT (0.61) QPCTPOLBSCN9ANAMPTKDM4E
SCHEMBL7238327 0.73 MAPK14 (0.45) MAPK13MAPK12MAPK11MAPK14

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-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

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 QPCT 664/4885POLB 397/4885SCN9A 3191/4885
US-20030073704-A1 Substituted pyridone compounds and methods of use IL6, IL1B, IL1A QPCT 1372/4885POLB 1406/4885SCN9A 2974/4885

“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.