SCHEMBL1243508

SCHEMBL1243508

COc1ccc(-c2nnc(C)o2)cc1-c1c(=O)ccn2c(-c3ccc(F)cc3F)cccc12

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.53
PTGER1 P34995 1/20 0.40
MAPK14 Q16539 1/20 0.38
CTSA P10619 1/20 0.37
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36

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
SCHEMBL1244742 0.91 NR1I2 (0.58) NR1I2PTGER1
SCHEMBL12445734 0.90 NR1I2 (0.57) NR1I2PTGER1MAPK14
SCHEMBL1244588 0.85 NR1I2 (0.66) NR1I2PTGER1PIK3R1PIK3CA
SCHEMBL1244274 0.83 NR1I2 (0.53) NR1I2
SCHEMBL4315923 0.78 BRD4 (0.36)
SCHEMBL1242063 0.76 NR1I2 (0.57) NR1I2
SCHEMBL1243683 0.76 NR1I2 (0.59) NR1I2
SCHEMBL14959911 0.74 NR1I2 (0.62) NR1I2MAPK14
SCHEMBL1244337 0.73 NR1I2 (0.58) NR1I2
SCHEMBL12445735 0.72 NR1I2 (0.57) NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1915373-B1 HETEROBICYCLIC COMPOUNDS USEFUL AS P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME (US) 2013-05-22 EP 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-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 (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-20090131472-A1 P38 Kinase Inhibiting Agents MAPK1, MAPK8, MAPK7 NR1I2 417/4885PTGER1 765/4885MAPK14 7/4885
US-20110183959-A1 P38 KINASE INHIBITING AGENTS MAPK1, MAPK8, MAPK7 NR1I2 589/4885PTGER1 807/4885MAPK14 7/4885

“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.