SCHEMBL1761064

SCHEMBL1761064

COc1ncnc2sc(NC(=O)N3CCC(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)nc12

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.63
ADORA1 P30542 14/20 0.63
ADORA2B P29275 13/20 0.63
SPR P35270 1/20 0.45
CTSS P25774 1/20 0.41
ELOVL6 Q9H5J4 2/20 0.40
KCNQ1 P51787 1/20 0.40
CACNA1B Q00975 1/20 0.39

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
SCHEMBL2928074 0.89 ADORA2A (0.51) ADORA2AADORA1ADORA2BSPRCTSS
SCHEMBL1761037 0.86 ADORA2A (0.61) ADORA2AADORA1ADORA2BSPR
SCHEMBL1760886 0.84 ADORA2B (0.51) ADORA2AADORA1ADORA2B
SCHEMBL1760902 0.84 ADORA2A (0.43) ADORA2AADORA1ADORA2BKCNQ1
SCHEMBL1760889 0.83 ADORA2A (0.43) ADORA2AADORA1ADORA2B
SCHEMBL12592858 0.82 ADORA2B (0.51) ADORA2AADORA1ADORA2B
SCHEMBL1761079 0.82 LMNA (0.57) ADORA2AADORA1ADORA2B
SCHEMBL1761027 0.81 ADORA2B (0.46) ADORA2AADORA1ADORA2B
SCHEMBL1760960 0.80 ADORA2A (0.62) ADORA2AADORA1ADORA2B
SCHEMBL1760933 0.80 FAAH (0.54) ADORA2AADORA1ADORA2B

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-7947692-B2 Substituted thiazolo[5,4-d]pyrimidine urea derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-24 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
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

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.