SCHEMBL12445706

SCHEMBL12445706

Cc1cc(F)ccc1-c1cccc2c(-c3c(Cl)cccc3Cl)c(=O)ccn12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.62
PMM2 O15305 1/20 0.34
MPI P34949 1/20 0.34
PHOSPHO1 Q8TCT1 1/20 0.34
MAPK14 Q16539 5/20 0.34
HSD11B1 P28845 1/20 0.34
NR3C2 P08235 1/20 0.33
MAPK13 O15264 3/20 0.32
MAPK12 P53778 3/20 0.32
MAPK11 Q15759 3/20 0.32
PDE4A P27815 1/20 0.32
KCNH2 Q12809 1/20 0.32
GRM2 Q14416 1/20 0.32
ABL1 P00519 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
CSF1R P07333 1/20 0.32
YES1 P07947 1/20 0.32
LYN P07948 1/20 0.32
HCK P08631 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL1244384 0.92 NR1I2 (0.53) NR1I2MAPK14NR3C2
SCHEMBL14959909 0.90 NR1I2 (0.53) NR1I2PMM2MPIPHOSPHO1MAPK14
SCHEMBL12445707 0.88 NR1I2 (0.80) NR1I2MAPK14MAPK13MAPK12MAPK11
SCHEMBL1244236 0.84 NR1I2 (0.46) NR1I2MAPK14MAPK13MAPK12MAPK11
Trifluoroacetic Acid SCHEMBL1244604 0.81 NR1I2 (0.67) NR1I2MAPK14MAPK13MAPK12MAPK11
SCHEMBL1243685 0.79 NR1I2 (0.62) NR1I2
SCHEMBL1241912 0.79 NR1I2 (0.50) NR1I2MAPK14
SCHEMBL12445718 0.77 MAPK14 (0.51) NR1I2MAPK14MAPK11
Hydrochloric Acid SCHEMBL1243811 0.77 MAPK14 (0.51) NR1I2MAPK14MAPK11
SCHEMBL1242149 0.77 NR1I2 (1.00) NR1I2MAPK14MAPK13MAPK12MAPK11

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 8 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
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-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
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 417/4885PMM2 2011/4885MPI 2189/4885
US-20110183959-A1 P38 KINASE INHIBITING AGENTS MAPK1, MAPK8, MAPK7 NR1I2 589/4885PMM2 2179/4885MPI 2455/4885

“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.