SCHEMBL4079533

SCHEMBL4079533

Oc1ccc(-c2nnc3ccc(Br)cn23)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
ESR1 P03372 7/20 0.39
ESR2 Q92731 6/20 0.39
MAPK14 Q16539 2/20 0.38
GAA P10253 2/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
NT5E P21589 6/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
HSD11B1 P28845 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
SCHEMBL4082120 0.89 PDE2A (0.40) MAPK14GAATP53POLBMAPT
SCHEMBL4072097 0.80 HSD11B1 (0.49) MAPK14GAALMNAHSD11B1
SCHEMBL4074309 0.76 S1PR1 (0.41) PTGS1PTGS2
SCHEMBL4217144 0.75 MAPK14 (0.59) MAPK14GAATP53POLBMAPT
SCHEMBL1284368 0.74 NT5E (0.62) GAATP53MAPTNT5E
SCHEMBL6119012 0.72 PSMD14 (0.41) MAPK14GAATP53POLBMAPT
Hydrochloric Acid SCHEMBL4072086 0.70 MAPK14 (0.44) MAPK14
SCHEMBL31541590 0.70 TRPA1 (0.52) MAPK14TP53NT5E
SCHEMBL14638460 0.70 TRPA1 (0.52) MAPK14TP53NT5E
SCHEMBL4079295 0.69 MAPK14 (0.44) MAPK14GAATP53POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076356-B2 Triazolopyridinylsulfanyl derivatives as P38 map kinase inhibitors PFIZER INC. (US) 2011-12-13 US disclosed
US-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors PFIZER INC. 2009-09-24 US disclosed
EP-1778686-B9 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS PFIZER LTD (GB) 2009-07-08 EP disclosed
US-7511057-B2 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors PFIZER INC. (US) 2009-03-31 US disclosed
EP-1778686-B1 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS PFIZER LTD (GB) 2008-10-29 EP disclosed
US-20060035922-A1 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors PFIZER INC. 2006-02-16 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-20060035922-A1 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors MAPK1, MAPKAPK5, MAPKAPK3 PTGS1 109/4885PTGS2 302/4885ESR1 4684/4885
US-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors MAPK1, MAPKAPK5, MAPKAPK3 PTGS1 113/4885PTGS2 314/4885ESR1 4687/4885

“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.