SCHEMBL1761065

SCHEMBL1761065

COc1ncnc2sc(NC(=O)N3CCC(N4CCCC4c4ccccc4)CC3)nc12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.40
ADORA1 P30542 13/20 0.40
ADORA3 P0DMS8 4/20 0.36
ADORA2B P29275 2/20 0.36
FAAH O00519 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 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
Trifluoroacetic Acid SCHEMBL1761010 0.95 ADORA2A (0.39) ADORA2AADORA1ADORA3ADORA2BFAAH
SCHEMBL3051009 0.89 OGA (0.36) ADORA2AADORA1ADORA3SMN1; SMN2
SCHEMBL1761049 0.84 MGLL (0.42) ADORA2AADORA1ADORA2BFAAHNPC1
SCHEMBL4054003 0.82 ADORA2A (0.41) ADORA2AADORA1ADORA3TP53
SCHEMBL13176908 0.80 ADORA2A (0.48) ADORA2AADORA1ADORA3ADORA2BSMN1; SMN2
SCHEMBL1760991 0.79 ADORA2A (0.46) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL1761078 0.79
SCHEMBL12592822 0.79 ADRA1A (0.44) ADORA2AADORA1NPC1TP53RAB9A
Trifluoroacetic Acid SCHEMBL1760939 0.79 ADORA2A (0.39) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL4049475 0.79 ADORA2A (0.42) ADORA2AADORA1ADORA3ADORA2B

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 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
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.