SCHEMBL7211798

SCHEMBL7211798

Fc1ccc(-c2cnc(NCCN3CCOCC3)nc2-c2ccncc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.54
MAPK13 O15264 5/20 0.54
MAPK12 P53778 5/20 0.54
MAPK11 Q15759 5/20 0.54
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MKNK1 Q9BUB5 2/20 0.48
HTR2A P28223 1/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46
ALOX5 P09917 1/20 0.46
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL7210339 0.94 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11HSD17B10
SCHEMBL7210145 0.91 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11SIGMAR1
SCHEMBL7215151 0.90 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11HSD17B10
SCHEMBL7210164 0.80 PTGS2 (0.49) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7211775 0.79 PTGS2 (0.48) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7210237 0.78 MAPK13 (0.50) MAPK14MAPK13MAPK12MAPK11MKNK1
Hydrochloric Acid SCHEMBL7210504 0.78 PTGS2 (0.47) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7216105 0.77 PTGS2 (0.54) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7210115 0.77 PTGS2 (0.47) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7215273 0.77 PTGS2 (0.53) MAPK14MAPK13MAPK12MAPK11HSD17B10

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 14 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
CN-1246858-A Substituted pyrimidine compounds and their use AMGEN INC (US) 2000-03-08 CN 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 MAPK14 2062/4885MAPK13 2250/4885MAPK12 1502/4885

“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.