SCHEMBL4071394

SCHEMBL4071394

CCc1ccccc1-c1nnc2ccc(Br)cn12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.40
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
MC4R P32245 3/20 0.37
MAPK14 Q16539 3/20 0.37
PARP1 P09874 1/20 0.36
KCNN4 O15554 1/20 0.35
MET P08581 1/20 0.35
GSK3B P49841 2/20 0.35
CYP2D6 P10635 1/20 0.35
AHR P35869 1/20 0.35
EPHB3 P54753 1/20 0.34

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 0.82 MAPK14 (0.44) PDE5APIM1PIM2MAPK14PARP1
SCHEMBL10364834 0.80 PDE5A (0.39) PDE5APIM1PIM2MAPK14
SCHEMBL4073505 0.80 MAPK14 (0.41) PIM1PIM2MAPK14PARP1KCNN4
SCHEMBL4070456 0.78 MAPK14 (0.37) PDE5APIM1PIM2MAPK14PARP1
SCHEMBL4076128 0.78 MAPK14 (0.44) PIM1PIM2MAPK14PARP1AHR
SCHEMBL4072097 0.78 HSD11B1 (0.49) MAPK14AHREPHB3
SCHEMBL4070718 0.77 MAPK14 (0.54) PDE5APIM1PIM2MAPK14
SCHEMBL983534 0.75 FLT1 (0.39) PIM1PIM2MAPK14METCYP2D6
SCHEMBL12575452 0.73 BRD4 (0.47) PIM1MAPK14PARP1
SCHEMBL5346916 0.73 ALDH1A1 (0.39) PIM1PIM2MAPK14EPHB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776362-A1 SPIRO COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY Virochem Pharma Inc. (CA) 2007-04-25 EP claimed
WO-2005007656-A1 SPIRO COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY VIROCHEM PHARMA INC. (CA) 2005-01-27 WO claimed
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 PDE5A 352/4885PIM1 974/4885PIM2 1222/4885
US-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors MAPK1, MAPKAPK5, MAPKAPK3 PDE5A 346/4885PIM1 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.