SCHEMBL6935858

SCHEMBL6935858

O=c1[nH]c(NCCCc2ccccc2)nc(-c2ccncc2)c1-c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.53
MAPK13 O15264 6/20 0.49
MAPK12 P53778 6/20 0.49
MAPK11 Q15759 6/20 0.49
GCGR P47871 2/20 0.49
NAMPT P43490 1/20 0.42
MAPK10 P53779 1/20 0.41
ALOX5 P09917 2/20 0.41
GSK3B P49841 1/20 0.40

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
SCHEMBL27539293 0.86 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6936731 0.83 NAMPT (0.44) MAPK14MAPK13MAPK12MAPK11NAMPT
SCHEMBL6932122 0.83 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6935729 0.83 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6935679 0.81 PRKCI (0.51) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7241845 0.81 PRKCI (0.51) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6935681 0.81 PRKCI (0.51) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6931340 0.81 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7238327 0.81 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11GCGR
Hydrochloric Acid SCHEMBL6936014 0.81 PRKCI (0.50) MAPK14MAPK13MAPK12MAPK11GCGR

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-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-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-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
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 MAPK14 2062/4885MAPK13 2250/4885MAPK12 1502/4885
US-20030073704-A1 Substituted pyridone compounds and methods of use IL6, IL1B, IL1A MAPK14 1169/4885MAPK13 1577/4885MAPK12 1127/4885

“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.