SCHEMBL7211775

SCHEMBL7211775

NCCNc1ncc(-c2ccc(F)cc2)c(-c2ccncc2)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.48
MAPK14 Q16539 9/20 0.46
MAPK13 O15264 8/20 0.46
MAPK12 P53778 8/20 0.46
MAPK11 Q15759 8/20 0.46
ADORA1 P30542 6/20 0.45
ADORA2A P29274 2/20 0.43
KDM1A O60341 1/20 0.42
MAPK10 P53779 1/20 0.42
PRKCH P24723 2/20 0.41
PRKCE Q02156 2/20 0.41
PRKCD Q05655 2/20 0.41
PRKCQ Q04759 1/20 0.41
LATS1 O95835 1/20 0.41
LATS2 Q9NRM7 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
Hydrochloric Acid SCHEMBL7210504 0.99 PTGS2 (0.47) PTGS2MAPK14MAPK13MAPK12MAPK11
SCHEMBL8501861 0.95 PTGS2 (0.45) PTGS2MAPK14MAPK13MAPK12MAPK11
SCHEMBL7210115 0.93 PTGS2 (0.47) PTGS2MAPK14MAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL7210261 0.92 PTGS2 (0.46) PTGS2MAPK14MAPK13MAPK12MAPK11
SCHEMBL7216164 0.92 DYRK1B (0.47) PTGS2MAPK14MAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL7215189 0.91 DYRK1B (0.46) PTGS2MAPK14MAPK13MAPK12MAPK11
SCHEMBL7210164 0.89 PTGS2 (0.49) PTGS2MAPK14MAPK13MAPK12MAPK11
SCHEMBL7210237 0.86 MAPK13 (0.50) PTGS2MAPK14MAPK13MAPK12MAPK11
SCHEMBL7216105 0.85 PTGS2 (0.54) PTGS2MAPK14MAPK13MAPK12MAPK11
SCHEMBL7215273 0.85 PTGS2 (0.53) PTGS2MAPK14MAPK13MAPK12MAPK11

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 10 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
EP-1314732-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP 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-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-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 (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 217/4885MAPK14 2062/4885MAPK13 2250/4885

“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.