SCHEMBL1244337

SCHEMBL1244337

Cc1nnc(-c2ccc(F)c(-c3c(=O)ccn4c(-c5ccc(F)cc5F)cccc34)c2)s1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.58
PIM1 P11309 3/20 0.37
PIM3 Q86V86 3/20 0.37
PIM2 Q9P1W9 1/20 0.37
FGFR3 P22607 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 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
SCHEMBL12445735 0.94 NR1I2 (0.57) NR1I2PIM1PIM3PIM2FGFR3
SCHEMBL1244274 0.91 NR1I2 (0.53) NR1I2PIM1PIM3PIM2
SCHEMBL1244742 0.82 NR1I2 (0.58) NR1I2FGFR3
SCHEMBL1242063 0.79 NR1I2 (0.57) NR1I2
SCHEMBL1243683 0.79 NR1I2 (0.59) NR1I2
SCHEMBL1241946 0.77 NR1I2 (0.67) NR1I2GABRA1GABRG2GABRB3GABRA5
SCHEMBL1244317 0.75 NR1I2 (0.67) NR1I2
SCHEMBL1243668 0.75 NR1I2 (0.67) NR1I2
SCHEMBL1242149 0.74 NR1I2 (1.00) NR1I2
SCHEMBL14611590 0.74 NR1I2 (0.60) 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 11 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

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 417/4885PIM1 2550/4885PIM3 3541/4885
US-20110183959-A1 P38 KINASE INHIBITING AGENTS MAPK1, MAPK8, MAPK7 NR1I2 589/4885PIM1 2541/4885PIM3 3477/4885

“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.