SCHEMBL1760889

SCHEMBL1760889

COc1ncnc2sc(NC(=O)N3CCC(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.43
ADORA1 P30542 7/20 0.43
ADORA2B P29275 1/20 0.43
EPHX2 P34913 1/20 0.39
MAPT P10636 3/20 0.38
USP2 O75604 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GHSR Q92847 1/20 0.37
ADORA3 P0DMS8 4/20 0.37
GCK P35557 2/20 0.37
KCNH2 Q12809 1/20 0.37
NAMPT P43490 1/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35

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
SCHEMBL1760902 0.92 ADORA2A (0.43) ADORA2AADORA1ADORA2BMAPTADORA3
SCHEMBL2930544 0.88 GHSR (0.36) ADORA2AADORA1MAPTUSP2ALDH1A1
SCHEMBL1761046 0.87 ADORA2A (0.39) ADORA2AADORA1ADORA2BMAPTUSP2
SCHEMBL1761064 0.83 ADORA2A (0.63) ADORA2AADORA1ADORA2B
SCHEMBL1761077 0.82 ADORA2A (0.40) ADORA2AADORA1ADORA2BALDH1A1SMN1; SMN2
SCHEMBL1760975 0.82 CCR3 (0.41) ADORA2AADORA1MAPTSMN1; SMN2ADORA3
SCHEMBL1760991 0.80 ADORA2A (0.46) ADORA2AADORA1ADORA2BMAPTALDH1A1
SCHEMBL1761028 0.80 FAAH (0.47) ADORA2AADORA1MAPTGAASMN1; SMN2
SCHEMBL2932239 0.80 LMNA (0.37) ADORA2AADORA1ADORA2BMAPTUSP2
SCHEMBL13176908 0.79 ADORA2A (0.48) ADORA2AADORA1ADORA2BSMN1; SMN2ADORA3

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.