SCHEMBL4073786

SCHEMBL4073786

CC(C)c1ccccc1-c1nnc2ccc(CO)cn12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
PLK1 P53350 1/20 0.34
USP1 O94782 9/20 0.33
WDR48 Q8TAF3 5/20 0.33
PPARA Q07869 2/20 0.33
PPARG P37231 1/20 0.33
KMT2A Q03164 1/20 0.33
MET P08581 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
SCHEMBL4070456 0.79 MAPK14 (0.37) MAPK14KMT2AMET
Hydrochloric Acid SCHEMBL4083133 0.69 MAPK14 (0.46) MAPK14
SCHEMBL17221756 0.67 ALDH1A1 (0.34) KMT2A
SCHEMBL4817084 0.66 MAOA (0.45) MAPK14MET
SCHEMBL7424659 0.64 PPARA (0.42) GABRA1GABRG2GABRB3USP1WDR48
SCHEMBL7569928 0.64 GABRA1 (0.38) GABRA1GABRG2GABRB3USP1PPARA
SCHEMBL24332597 0.63 FLT1 (0.43) MAPK14KMT2A
Benzyl Alcohol SCHEMBL28599337 0.63 TSHR (0.64) GABRA1GABRG2GABRB3PPARAPPARG
SCHEMBL23479734 0.63 FFAR1 (0.52) GABRA1GABRG2GABRB3PPARAPPARG
SCHEMBL5766586 0.63 MAPK14 (0.52) MAPK14MET

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 MAPK14 24/4885GABRA1 3959/4885GABRG2 3965/4885
US-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors MAPK1, MAPKAPK5, MAPKAPK3 MAPK14 24/4885GABRA1 4018/4885GABRG2 4012/4885

“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.