SCHEMBL1243728

SCHEMBL1243728

N#Cc1ccc(F)c(Cc2cccc(-c3ccc(F)cc3F)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
MPO P05164 1/20 0.40
PTGER1 P34995 4/20 0.36
ADORA1 P30542 2/20 0.36
EGLN2 Q96KS0 2/20 0.36
ADORA2A P29274 1/20 0.36
VNN1 O95497 1/20 0.35
CNR1 P21554 1/20 0.34
KMO O15229 1/20 0.34
KCNH2 Q12809 1/20 0.34
GRM5 P41594 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 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
SCHEMBL1244242 0.83 GABRG2 (0.48) GABRG2GABRB3GABRA5GABRA3ADORA1
SCHEMBL1244781 0.78 GABRG2 (0.44) GABRG2GABRB3GABRA5GABRA3ADORA1
SCHEMBL1244692 0.77 MPO (0.44) GABRG2GABRB3GABRA5GABRA3MPO
SCHEMBL4681292 0.76 GABRG2 (0.40) GABRG2GABRB3GABRA5GABRA3PTGER1
SCHEMBL1241882 0.71 KMO (0.37) GABRG2GABRB3GABRA5GABRA3PTGER1
SCHEMBL13261826 0.71 KMO (0.51) GABRG2GABRB3GABRA5GABRA3ADORA1
SCHEMBL12519903 0.68 GABRG2 (0.41) GABRG2GABRB3GABRA5GABRA3VNN1
SCHEMBL1243705 0.67 GABRG2 (0.40) GABRG2GABRB3GABRA5GABRA3PTGER1
SCHEMBL19072692 0.67 KMO (0.47) GABRG2GABRB3GABRA5GABRA3ADORA1
SCHEMBL28043564 0.67 MPO (0.48) MPOPTGER1

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 14 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-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 GABRG2 4520/4885GABRB3 4483/4885GABRA5 4503/4885
US-20110183959-A1 P38 KINASE INHIBITING AGENTS MAPK1, MAPK8, MAPK7 GABRG2 4544/4885GABRB3 4488/4885GABRA5 4473/4885

“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.