SCHEMBL4075129

SCHEMBL4075129

NCc1ccccc1Sc1ccc2nnc(-c3cc(OCc4ccccc4)ccc3Cl)n2c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.39
LRRK2 Q5S007 1/20 0.36
FLT1 P17948 1/20 0.35
MAPK11 Q15759 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
S1PR1 P21453 1/20 0.35
PRKX P51817 1/20 0.35
ACVR1 Q04771 1/20 0.35
S1PR5 Q9H228 1/20 0.35
PDE2A O00408 1/20 0.35
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL4358932 0.99 MAPK14 (0.40) MAPK14LRRK2FLT1MAPK11MINK1
Hydrochloric Acid SCHEMBL4132699 0.92 MAPK14 (0.42) MAPK14LRRK2FLT1MAPK11MINK1
SCHEMBL13946413 0.87 MAPK14 (0.35) MAPK14LRRK2FLT1MAPK11MINK1
SCHEMBL4203744 0.85 MAPK14 (0.42) MAPK14LRRK2KMT2A
SCHEMBL13946414 0.84 FLT1 (0.41) MAPK14FLT1MAPK11MINK1PDE2A
SCHEMBL4071487 0.84 PTGER1 (0.38) MAPK14LRRK2
Hydrochloric Acid SCHEMBL4076151 0.83 MAPK14 (0.42) MAPK14FLT1MAPK11MINK1
Bromide SCHEMBL4206276 0.83 FLT1 (0.40) MAPK14FLT1MAPK11MINK1PDE2A
Hydrochloric Acid SCHEMBL4073654 0.83 MAPK14 (0.41) MAPK14
Hydrochloric Acid SCHEMBL4082863 0.81 MAPK14 (0.44) MAPK14FLT1MAPK11MINK1

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 10 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
US-20090012079-A1 Triazolopyridine Compounds LEWTHWAITE RUSSELL ANDREW 2009-01-08 US disclosed
EP-1984363-A1 TRIAZOLOPYRIDINE COMPOUNDS Pfizer Limited (GB) 2008-10-29 EP disclosed
EP-1778686-B1 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS PFIZER LTD (GB) 2008-10-29 EP disclosed
WO-2007091152-A1 TRIAZOLOPYRIDINE COMPOUNDS PFIZER LIMITED (GB) 2007-08-16 WO disclosed
WO-2007091152-A1 TRIAZOLOPYRIDINE COMPOUNDS PFIZER LIMITED (GB) 2007-08-16 WO 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 (3 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 24/4885LRRK2 1066/4885FLT1 2821/4885
US-20090012079-A1 Triazolopyridine Compounds MAPKAPK5, MAPK1, MAPK4 MAPK14 26/4885LRRK2 2136/4885FLT1 2818/4885
US-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors MAPK1, MAPKAPK5, MAPKAPK3 MAPK14 24/4885LRRK2 975/4885FLT1 2739/4885

“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.