SCHEMBL4246402

SCHEMBL4246402

COC(=O)c1ccc2[nH]c(CN)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
MAPT P10636 3/20 0.54
MAPK1 P28482 1/20 0.54
PKM P14618 2/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 5/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LOXL2 Q9Y4K0 2/20 0.46
RHEB Q15382 1/20 0.45
RAB9A P51151 3/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
CREBBP Q92793 1/20 0.45
HSD17B10 Q99714 2/20 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
Trifluoroacetic Acid SCHEMBL1507211 0.92 KDM4E (0.49) SMN1; SMN2MAPTMAPK1PKMGAA
SCHEMBL22533987 0.87 SMN1; SMN2 (0.55) SMN1; SMN2MAPTMAPK1PKMGAA
SCHEMBL6093891 0.86 SMN1; SMN2 (0.57) SMN1; SMN2MAPTMAPK1PKMGAA
SCHEMBL3737238 0.85 SMN1; SMN2 (0.53) SMN1; SMN2MAPTMAPK1PKMGAA
SCHEMBL8906504 0.85 L3MBTL1 (0.54) SMN1; SMN2MAPTMAPK1PKMGAA
SCHEMBL15294555 0.85 SMN1; SMN2 (0.53) SMN1; SMN2MAPTMAPK1PKMGAA
SCHEMBL4244735 0.84 MAPT (0.52) SMN1; SMN2MAPTMAPK1PKMGAA
SCHEMBL7485743 0.83 F10 (0.52) SMN1; SMN2MAPTMAPK1PKMGAA
SCHEMBL8632161 0.83 MAPT (0.55) SMN1; SMN2MAPTMAPK1PKMGAA
SCHEMBL23280103 0.82 SMN1; SMN2 (0.50) SMN1; SMN2MAPTMAPK1PKMGAA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300485-B1 PYRROLO-[2, 3-C]-PYRIDINE DERIVATIVES AS P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME (US) 2012-01-18 EP disclosed
US-8017605-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. (US) 2011-09-13 US disclosed
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-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-20090325953-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2009-12-31 US disclosed
WO-2009152072-A1 PYRROLO [2, 3-C] PYRIDINE DERIVATIVES AS P38 KINASE INHIBITING AGENTS MERCK & CO., INC. (US) 2009-12-17 WO disclosed
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
EP-1993536-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 EP disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US disclosed
WO-2007103755-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 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 (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 SMN1; SMN2 2249/4885MAPT 1769/4885MAPK1 1623/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA SMN1; SMN2 2523/4885MAPT 2228/4885MAPK1 1490/4885
US-20090325953-A1 P38 KINASE INHIBITING AGENTS MAPK1, MAPK8, MAPKAPK2 SMN1; SMN2 3365/4885MAPT 60/4885MAPK1 1/4885
US-20110105430-A1 PYRROLO [2,3-C] PYRIDINE DERIVATIVES AS P38 KINEASE INHIBITING AGENTS MAPK1, MAP3K8, MAPK8 SMN1; SMN2 3521/4885MAPT 383/4885MAPK1 1/4885

“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.