SCHEMBL6934696

SCHEMBL6934696

O=c1[nH]c(-c2ccncc2)nc(-c2ccncc2)c1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 11/20 0.62
MAPK12 P53778 11/20 0.62
MAPK11 Q15759 11/20 0.62
MAPK14 Q16539 11/20 0.62
RAF1 P04049 7/20 0.62
MAPK9 P45984 1/20 0.62
ALDH1A1 P00352 3/20 0.59
HPGD P15428 2/20 0.59
MAPT P10636 1/20 0.59
ALOX15 P16050 1/20 0.59
HSD17B10 Q99714 1/20 0.59
APOBEC3G Q9HC16 1/20 0.59
POLB P06746 1/20 0.58
XDH P47989 1/20 0.58
GSK3B P49841 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
GCGR P47871 4/20 0.54
BRAF P15056 1/20 0.54
ALOX5 P09917 1/20 0.54

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
SCHEMBL6936146 0.94 ALDH1A1 (0.53) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL6932744 0.92 MAPK14 (0.67) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL6933891 0.85 MAPK14 (0.64) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5390321 0.83 MAPK13 (0.60) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5383503 0.83 MAPK13 (0.60) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5380497 0.83 POLB (0.85) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5382377 0.81 MAPK13 (0.57) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5381411 0.80 MAPK13 (0.56) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5390452 0.79 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL2949385 0.77 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14RAF1

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 11 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-6420385-B1 INFLAMMATORY, PAIN AND DIABETES DISEASES, AMGEN INC. 2002-07-16 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
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 (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 MAPK13 2250/4885MAPK12 1502/4885MAPK11 1618/4885
US-20030073704-A1 Substituted pyridone compounds and methods of use IL6, IL1B, IL1A MAPK13 1577/4885MAPK12 1127/4885MAPK11 1375/4885

“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.