SCHEMBL1243488

SCHEMBL1243488

CC(C)(C)N1CCC(c2cc(-c3ccccc3Cl)n3ccc(=O)c(-c4c(F)cccc4F)c3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.51
MAPK11 Q15759 2/20 0.47
MAT2A P31153 2/20 0.42
NR1I2 O75469 1/20 0.40
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MCHR1 Q99705 1/20 0.33

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
SCHEMBL1244617 0.93 MAPK14 (0.54) MAPK14MAPK11MAT2AMAPK13MAPK12
SCHEMBL1244680 0.91 MAPK14 (0.57) MAPK14MAPK11NR1I2
SCHEMBL1242010 0.87 MAPK14 (0.57) MAPK14MAPK11NR1I2MAPK13MAPK12
SCHEMBL1243605 0.86 MAPK14 (0.57) MAPK14MAPK11NR1I2
SCHEMBL1244285 0.85 NR1I2 (0.48) MAPK14MAPK11NR1I2
SCHEMBL12445718 0.83 MAPK14 (0.51) MAPK14MAPK11NR1I2
Hydrochloric Acid SCHEMBL1243811 0.83 MAPK14 (0.51) MAPK14MAPK11NR1I2
SCHEMBL1243463 0.78 MAPK14 (0.47) MAPK14MAT2ANR1I2
SCHEMBL12445716 0.70 MAPK14 (0.46) MAPK14MAT2A
Hydrochloric Acid SCHEMBL1243660 0.70 MAPK14 (0.46) MAPK14MAT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10441577-B2 Medicament for treatment of liver cancer HELMHOLTZ ZENTRUM FUER INFEKTIONSFORSCHUNG (DE) 2019-10-15 US disclosed
US-20150079154-A1 MEDICAMENT FOR TREATMENT OF LIVER CANCER HELMHOLTZ-ZENTRUM FUER INFEKTIONSFORSCHUNG GMBH (DE) 2015-03-19 US disclosed
US-20150079154-A1 MEDICAMENT FOR TREATMENT OF LIVER CANCER HELMHOLTZ-ZENTRUM FUER INFEKTIONSFORSCHUNG GMBH (DE) 2015-03-19 US disclosed
EP-1915373-B1 HETEROBICYCLIC COMPOUNDS USEFUL AS P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME (US) 2013-05-22 EP disclosed
US-20110183959-A1 P38 KINASE INHIBITING AGENTS CHEN MENG-HSIN 2011-07-28 US disclosed
US-20110183959-A1 P38 KINASE INHIBITING AGENTS CHEN MENG-HSIN 2011-07-28 US disclosed
US-20110183959-A1 P38 KINASE INHIBITING AGENTS CHEN MENG-HSIN 2011-07-28 US disclosed
US-7879875-B2 such as 6-(2,4-difluorophenyl)-1-[2-fluoro-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-2H-quinolizin-2-one, used as antipyretics, analgesics, or in the treatment of arthritis, osteoarthritis, eczema, psoriasis and vision defects Merk Sharp & Dohme Corp. (US) 2011-02-01 US disclosed
US-7879875-B2 such as 6-(2,4-difluorophenyl)-1-[2-fluoro-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-2H-quinolizin-2-one, used as antipyretics, analgesics, or in the treatment of arthritis, osteoarthritis, eczema, psoriasis and vision defects Merk Sharp & Dohme Corp. (US) 2011-02-01 US disclosed
US-7879875-B2 such as 6-(2,4-difluorophenyl)-1-[2-fluoro-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-2H-quinolizin-2-one, used as antipyretics, analgesics, or in the treatment of arthritis, osteoarthritis, eczema, psoriasis and vision defects Merk Sharp & Dohme Corp. (US) 2011-02-01 US disclosed
US-20090131472-A1 P38 Kinase Inhibiting Agents MERCK SHARP & DOHME LLC 2009-05-21 US disclosed
US-20090131472-A1 P38 Kinase Inhibiting Agents MERCK SHARP & DOHME LLC 2009-05-21 US disclosed
US-20090131472-A1 P38 Kinase Inhibiting Agents MERCK SHARP & DOHME LLC 2009-05-21 US disclosed
EP-1915373-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS P38 KINASE INHIBITING AGENTS Merck and Co., Inc. (US) 2008-04-30 EP disclosed
WO-2007021710-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS P38 KINASE INHIBITING AGENTS MERCK & CO., INC. (US) 2007-02-22 WO disclosed
WO-2007021710-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS P38 KINASE INHIBITING AGENTS MERCK & CO., INC. (US) 2007-02-22 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-20090131472-A1 P38 Kinase Inhibiting Agents MAPK1, MAPK8, MAPK7 MAPK14 7/4885MAPK11 31/4885MAT2A 1397/4885
US-20110183959-A1 P38 KINASE INHIBITING AGENTS MAPK1, MAPK8, MAPK7 MAPK14 7/4885MAPK11 32/4885MAT2A 1388/4885
US-10441577-B2 Medicament for treatment of liver cancer PYGL, PFKL, GLS2 MAPK14 523/4885MAPK11 684/4885MAT2A 1419/4885
US-20150079154-A1 MEDICAMENT FOR TREATMENT OF LIVER CANCER PYGL, PFKL, GLS2 MAPK14 523/4885MAPK11 684/4885MAT2A 1419/4885

“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.