SCHEMBL4141765

SCHEMBL4141765

Brc1ccc2nnc(-c3ccccc3OCc3ccccc3)n2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.47
MAPK14 Q16539 2/20 0.43
PIM1 P11309 3/20 0.42
PIM2 Q9P1W9 3/20 0.42
PDE5A O76074 2/20 0.41
IDO1 P14902 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
PTGER1 P34995 2/20 0.38
ATP4A P20648 1/20 0.38
ATP4B P51164 1/20 0.38

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
SCHEMBL4127757 0.86 PTGER1 (0.46) PTGER1
SCHEMBL4070718 0.80 MAPK14 (0.54) MAPK14PIM1PIM2PDE5AMAPT
SCHEMBL4074309 0.79 S1PR1 (0.41)
SCHEMBL4073057 0.79 MAOB (0.41)
SCHEMBL15013668 0.78 BRD4 (0.45) BRD4MAPK14PIM1PIM2PDE5A
SCHEMBL1283689 0.77 MAOB (0.50)
SCHEMBL6118858 0.75 MAPK14 (0.52) BRD4MAPK14MAPTMAPK1PDE4A
SCHEMBL4079593 0.75 MAPK14 (0.40) BRD4MAPK14ATP4AATP4B
Hydrochloric Acid SCHEMBL4073654 0.74 MAPK14 (0.41) BRD4MAPK14
SCHEMBL6118917 0.74 MAPK14 (0.52) BRD4MAPK14PIM1PIM2MAPT

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 BRD4 1440/4885MAPK14 24/4885PIM1 974/4885
US-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors MAPK1, MAPKAPK5, MAPKAPK3 BRD4 1361/4885MAPK14 24/4885PIM1 1078/4885

“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.