SCHEMBL7210591

SCHEMBL7210591

CN(CCc1ccccc1)c1ncc(-c2ccc(F)cc2)c(-c2ccncc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.49
PTGS1 P23219 2/20 0.49
MAPK14 Q16539 10/20 0.47
MAPK13 O15264 8/20 0.47
MAPK12 P53778 8/20 0.47
MAPK11 Q15759 8/20 0.47
GCGR P47871 1/20 0.47
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
ADORA1 P30542 2/20 0.45
MAPK10 P53779 2/20 0.45
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
ALOX5 P09917 1/20 0.44
ADORA2A P29274 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
GLA P06280 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 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
SCHEMBL8501210 0.91 PTGS2 (0.50) PTGS2PTGS1MAPK14MAPK13MAPK12
SCHEMBL27522554 0.87 ADORA1 (0.48) PTGS2PTGS1MAPK14MAPK13MAPK12
SCHEMBL27502665 0.76 PTGS2 (0.49) PTGS2PTGS1MAPK14MAPK13MAPK12
SCHEMBL7215116 0.76 PTGS2 (0.58) PTGS2PTGS1MAPK14MAPK13MAPK12
SCHEMBL7216691 0.76 PTGS2 (0.69) PTGS2PTGS1MAPK14MAPK13MAPK12
SCHEMBL7215940 0.74 MAPK14 (0.43) PTGS2PTGS1MAPK14MAPK13MAPK12
SCHEMBL7210277 0.74 PTGS2 (0.56) PTGS2PTGS1MAPK14MAPK13MAPK12
Dimethylamine SCHEMBL7210227 0.74 PTGS2 (0.56) PTGS2PTGS1MAPK14MAPK13MAPK12
SCHEMBL7212886 0.74 PTGS2 (0.51) PTGS2PTGS1MAPK14MAPK13MAPK12
SCHEMBL7215223 0.74 PTGS2 (0.71) PTGS2PTGS1MAPK14MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20030069425-A1 Substituted pyrimidine compounds and methods of use AMGEN INC. 2003-04-10 US claimed
EP-0948497-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE Amgen inc. (US) 1999-10-13 EP claimed
WO-1998024782-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO claimed
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-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
CN-1246858-A Substituted pyrimidine compounds and their use AMGEN INC (US) 2000-03-08 CN disclosed
EP-0948497-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024782-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO 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-20030069425-A1 Substituted pyrimidine compounds and methods of use DPYD, IL6, IL1B PTGS2 217/4885PTGS1 61/4885MAPK14 2062/4885

“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.