SCHEMBL298049

SCHEMBL298049

O=C(O)c1cc(C(=O)c2ccc(F)cc2F)c[nH]1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.71
MAPK14 Q16539 7/20 0.59
PKM P14618 2/20 0.54
GAA P10253 2/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
NPC1 O15118 2/20 0.53
KDM4E B2RXH2 1/20 0.52
HTT P42858 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ATM Q13315 1/20 0.51
RAB9A P51151 2/20 0.48
HSP90AA1 P07900 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
POLB P06746 1/20 0.43

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
SCHEMBL17607058 0.83 MAPK14 (0.67) KMT2AMAPK14PKMGAAALDH1A1
SCHEMBL29190990 0.83 KMT2A (0.68) KMT2AMAPK14PKMGAAALDH1A1
SCHEMBL29190948 0.81 SMN1; SMN2 (0.65) KMT2APKMGAAALDH1A1LMNA
SCHEMBL299630 0.81 POLB (0.50) KMT2AMAPK14PKMGAAALDH1A1
SCHEMBL1507426 0.78 MAPK14 (0.59) KMT2AMAPK14PKMGAAALDH1A1
SCHEMBL30874562 0.77 RAB9A (0.52) KMT2AMAPK14PKMGAAALDH1A1
SCHEMBL29190944 0.77 RAB9A (0.52) KMT2AMAPK14PKMGAAALDH1A1
SCHEMBL5537742 0.76 CES2 (0.52) KMT2AMAPK14ALDH1A1LMNAKDM4E
SCHEMBL300049 0.76 POLB (0.68) MAPK14PKMGAAALDH1A1NPC1
SCHEMBL158348 0.75 CES2 (0.59) KMT2AMAPK14GAAALDH1A1LMNA

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
CN-117886734-A Heterocyclic amide compound and preparation method, pharmaceutical composition and application thereof 中国药科大学 2024-04-16 CN disclosed
US-8513289-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. (US) 2013-08-20 US disclosed
EP-2427452-A1 P38 KINASE INHIBITING AGENTS Merck Sharp & Dohme Corp. (US) 2012-03-14 EP disclosed
US-20120040999-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2012-02-16 US disclosed
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-20110105430-A1 PYRROLO [2,3-C] PYRIDINE DERIVATIVES AS P38 KINEASE INHIBITING AGENTS SAHOO SOUMYA P 2011-05-05 US disclosed
EP-2300485-A1 PYRROLO Ý2, 3-C¨PYRIDINE DERIVATIVES AS P38 KINASE INHIBITING AGENTS Merck Sharp & Dohme Corp. (US) 2011-03-30 EP disclosed
WO-2010129208-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20120040999-A1 P38 KINASE INHIBITING AGENTS MAPK1, MAPK8, MAPKAPK2 KMT2A 4754/4885MAPK14 13/4885PKM 883/4885
US-20090325953-A1 P38 KINASE INHIBITING AGENTS MAPK1, MAPK8, MAPKAPK2 KMT2A 4720/4885MAPK14 13/4885PKM 924/4885
US-20110105430-A1 PYRROLO [2,3-C] PYRIDINE DERIVATIVES AS P38 KINEASE INHIBITING AGENTS MAPK1, MAP3K8, MAPK8 KMT2A 3447/4885MAPK14 33/4885PKM 120/4885

“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.