SCHEMBL4070456

SCHEMBL4070456

CC(C)c1ccccc1-c1nnc2ccc(Br)cn12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.37
PIM1 P11309 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
PDE5A O76074 1/20 0.36
AHR P35869 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
PIM3 Q86V86 1/20 0.35
GAA P10253 2/20 0.35
PARP1 P09874 1/20 0.35
GSK3B P49841 2/20 0.33
MET P08581 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL4079295 0.83 MAPK14 (0.44) MAPK14PIM1PIM2PDE5AAHR
SCHEMBL4073786 0.79 MAPK14 (0.36) MAPK14KMT2AMET
SCHEMBL4076128 0.79 MAPK14 (0.44) MAPK14PIM1PIM2AHRGAA
SCHEMBL4072097 0.79 HSD11B1 (0.49) MAPK14AHRALDH1A1GAALMNA
SCHEMBL4071394 0.78 PDE5A (0.40) MAPK14PIM1PIM2PDE5AAHR
SCHEMBL4070718 0.78 MAPK14 (0.54) MAPK14PIM1PIM2PDE5AMEN1
SCHEMBL4073505 0.78 MAPK14 (0.41) MAPK14PIM1PIM2AHRALDH1A1
SCHEMBL12575452 0.74 BRD4 (0.47) MAPK14PIM1MEN1ALDH1A1KMT2A
SCHEMBL4217144 0.74 MAPK14 (0.59) MAPK14PIM1PIM2GAAGSK3B
SCHEMBL10364834 0.73 PDE5A (0.39) MAPK14PIM1PIM2PDE5AALDH1A1

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 24/4885PIM1 974/4885PIM2 1222/4885
US-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors MAPK1, MAPKAPK5, MAPKAPK3 MAPK14 24/4885PIM1 1078/4885PIM2 1304/4885

“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.