SCHEMBL4249669

SCHEMBL4249669

COC(=O)c1ccc2nc(C(C)C)[nH]c2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
LMNA P02545 3/20 0.61
HTT P42858 2/20 0.61
ALDH1A1 P00352 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
MLKL Q8NB16 3/20 0.57
MMP1 P03956 1/20 0.56
MMP3 P08254 1/20 0.56
MMP7 P09237 1/20 0.56
BRD4 O60885 1/20 0.52
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51
HSD17B10 Q99714 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.47
KIF11 P52732 1/20 0.47
ALOX15 P16050 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46

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
SCHEMBL407841 0.89 KDM4E (0.48) KDM4ELMNAHTTALDH1A1L3MBTL1
SCHEMBL30349840 0.87 ALDH1A1 (0.64) KDM4ELMNAHTTALDH1A1L3MBTL1
SCHEMBL18785691 0.84 MLKL (0.68) KDM4ELMNAALDH1A1MLKLHSD17B10
SCHEMBL18237000 0.83 HDAC6 (0.65) MLKLHDAC3HDAC1HDAC2HDAC8
SCHEMBL19982680 0.83 MLKL (0.57) KDM4ELMNAHTTALDH1A1L3MBTL1
SCHEMBL20683048 0.82 CHEK2 (0.57) MLKL
SCHEMBL4243540 0.81 HSP90AA1 (0.69) KDM4ELMNAHTTALDH1A1L3MBTL1
SCHEMBL5029722 0.80 KDM4E (0.57) KDM4ELMNAHTTALDH1A1L3MBTL1
SCHEMBL6979675 0.80 KDM4E (0.52) KDM4EHTTALDH1A1HSD17B10KIF11
SCHEMBL24282005 0.79 HTT (0.68) KDM4ELMNAHTTALDH1A1L3MBTL1

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-8017605-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. (US) 2011-09-13 US disclosed
US-20110105430-A1 PYRROLO [2,3-C] PYRIDINE DERIVATIVES AS P38 KINEASE INHIBITING AGENTS SAHOO SOUMYA P 2011-05-05 US disclosed
US-20090325953-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2009-12-31 US disclosed
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US disclosed
EP-1718642-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP disclosed
WO-2005082901-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 WO disclosed
US-6712262-B2 BENZIMIDAZOLE AND IODINE COMPOUNDS TAMURAKAKEN CORPORATION (JP) 2004-03-30 US disclosed
US-20030141351-A1 Water-soluble preflux, printed circuit board, and process for treating the surface of a metal in a printed circuit board TAMURA CORPORATION (JP) 2003-07-31 US disclosed
US-5735973-A BENZIMIDAZOLE COMPOUND; PROTECTION FROM OXIDATION AND RUST TAMURA KAKEN CORPORATION (JP) 1998-04-07 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 (4 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-20070249599-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 KDM4E 2565/4885LMNA 1240/4885HTT 216/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA KDM4E 3686/4885LMNA 4788/4885HTT 1811/4885
US-20090325953-A1 P38 KINASE INHIBITING AGENTS MAPK1, MAPK8, MAPKAPK2 KDM4E 4664/4885LMNA 4201/4885HTT 3672/4885
US-20110105430-A1 PYRROLO [2,3-C] PYRIDINE DERIVATIVES AS P38 KINEASE INHIBITING AGENTS MAPK1, MAP3K8, MAPK8 KDM4E 1450/4885LMNA 4324/4885HTT 3969/4885

“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.