SCHEMBL5564221

SCHEMBL5564221

COc1cccc(C(=O)Nc2nc3c(OC)cnc(N4CCOCC4)c3s2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.75
ADORA1 P30542 2/20 0.75
ADORA3 P0DMS8 1/20 0.62
ADORA2B P29275 1/20 0.62
MAPT P10636 2/20 0.54
THRB P10828 1/20 0.54
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
LRRK2 Q5S007 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPC1 O15118 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL5558801 0.91 ADORA2A (0.75) ADORA2AADORA1ADORA3ADORA2BMAPT
SCHEMBL5565192 0.91 ADORA2A (0.83) ADORA2AADORA1ADORA3ADORA2BMAPT
SCHEMBL5559749 0.90 ADORA2A (0.82) ADORA2AADORA1ADORA3ADORA2BMAPT
SCHEMBL5559861 0.90 ADORA2A (0.84) ADORA2AADORA1ADORA3ADORA2BMAPT
SCHEMBL5564276 0.88 ADORA2A (0.81) ADORA2AADORA1ADORA3ADORA2BMAPT
SCHEMBL5563614 0.87 ADORA2A (0.86) ADORA2AADORA1ADORA3ADORA2BMAPT
SCHEMBL5559252 0.86 ADORA2A (0.79) ADORA2AADORA1ADORA3ADORA2BMAPT
SCHEMBL5565276 0.86 ADORA2A (0.81) ADORA2AADORA1ADORA3ADORA2BMAPT
SCHEMBL5560059 0.86 ADORA2A (0.75) ADORA2AADORA1ADORA3ADORA2BMAPT
SCHEMBL5559889 0.86 ADORA2A (0.75) ADORA2AADORA1ADORA3ADORA2BMAPT

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
US-7273865-B2 Thiazolopyridine HOFFMANN-LA ROCHE INC. (US) 2007-09-25 US claimed
EP-1670805-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-21 EP claimed
WO-2005028484-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2005-03-31 WO claimed
US-20050065151-A1 Thiazolopyridine HOFFMANN-LA ROCHE INC. 2005-03-24 US claimed
US-7273865-B2 Thiazolopyridine HOFFMANN-LA ROCHE INC. (US) 2007-09-25 US disclosed
EP-1670805-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-21 EP disclosed
WO-2005028484-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2005-03-31 WO disclosed
US-20050065151-A1 Thiazolopyridine HOFFMANN-LA ROCHE INC. 2005-03-24 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 (1 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-20050065151-A1 Thiazolopyridine ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA3 2/4885

“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.