SCHEMBL1761075

SCHEMBL1761075

COc1ncnc2sc(NC(=O)N3CCC(=O)CC3)nc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.40
ADORA1 P30542 13/20 0.40
ADORA3 P0DMS8 3/20 0.39
ADORA2B P29275 1/20 0.39
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPY5R Q15761 1/20 0.34
RBP4 P02753 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 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
SCHEMBL13176908 0.90 ADORA2A (0.48) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL4054563 0.88 ADORA2A (0.40) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL12592691 0.87 ADORA2A (0.41) ADORA2AADORA1ADORA3ADORA2BALDH1A1
Hydrochloric Acid SCHEMBL1760985 0.86 ADORA2A (0.40) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL1760991 0.85 ADORA2A (0.46) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL1760961 0.83 MAPT (0.41) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL4049475 0.82 ADORA2A (0.42) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL1760963 0.81 ADORA2A (0.42) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL12592880 0.81 ADORA2A (0.42) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL1760877 0.81 ADORA2A (0.42) ADORA2AADORA1ADORA3ADORA2BALDH1A1

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 7 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 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 5/4885ADORA3 7/4885

“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.