SCHEMBL1760944

SCHEMBL1760944

COc1ncnc2sc(NC(=O)N3CCC(O)(c4cccc(C(F)(F)F)n4)CC3)nc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.44
ADORA1 P30542 10/20 0.44
ADORA2B P29275 4/20 0.44
PKLR P30613 1/20 0.42
ADORA3 P0DMS8 1/20 0.40
NPY5R Q15761 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
USP2 O75604 1/20 0.35
CYP3A4 P08684 1/20 0.35
CCR2 P41597 2/20 0.34
KCNH2 Q12809 2/20 0.34
HPGDS O60760 1/20 0.34
SYK P43405 1/20 0.34
S1PR2 O95136 1/20 0.33
CCRL2 O00421 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
SCHEMBL2929996 0.89 PKLR (0.38) ADORA2AADORA1ADORA2BPKLRADORA3
SCHEMBL12592812 0.85 ADORA2A (0.45) ADORA2AADORA1ADORA2BPKLRADORA3
SCHEMBL1760960 0.85 ADORA2A (0.62) ADORA2AADORA1ADORA2BPKLRADORA3
SCHEMBL1761007 0.81 ALDH1A1 (0.51) ADORA2AADORA1ADORA2BPKLRADORA3
SCHEMBL1761066 0.80 ADORA2A (0.47) ADORA2AADORA1ADORA2BPKLRADORA3
SCHEMBL1761019 0.79 ADORA2A (0.52) ADORA2AADORA1ADORA2BADORA3NPY5R
Hydrochloric Acid SCHEMBL1760943 0.78 ADORA2A (0.51) ADORA2AADORA1ADORA2BADORA3NPY5R
SCHEMBL1761050 0.77 HPGDS (0.40) ADORA2AADORA1ADORA2BUSP2CYP3A4
SCHEMBL1760896 0.77 ADORA2A (0.52) ADORA2AADORA1ADORA2BADORA3USP2
SCHEMBL13176908 0.77 ADORA2A (0.48) ADORA2AADORA1ADORA2BADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947692-B2 Substituted thiazolo[5,4-d]pyrimidine urea derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-24 US claimed
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP claimed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 US claimed
US-7947692-B2 Substituted thiazolo[5,4-d]pyrimidine urea derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-24 US disclosed
US-7947692-B2 Substituted thiazolo[5,4-d]pyrimidine urea derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-24 US disclosed
US-7947692-B2 Substituted thiazolo[5,4-d]pyrimidine urea derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-24 US disclosed
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP disclosed
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP disclosed
WO-2007134958-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 WO disclosed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 US disclosed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 US disclosed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 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-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives ADORA2B, UTS2R, TBXA2R ADORA2A 4/4885ADORA1 5/4885ADORA2B 1/4885

“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.