SCHEMBL1761040

SCHEMBL1761040

COc1ncnc2sc(NC(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)nc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
MAPK1 P28482 2/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
HSD11B1 P28845 8/20 0.49
CHRM1 P11229 3/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM3 P20309 1/20 0.46
CALCRL Q16602 2/20 0.45
PIK3CD O00329 1/20 0.44
PIK3R1 P27986 1/20 0.44
CYP3A4 P08684 1/20 0.43
PLD2 O14939 1/20 0.43
PLD1 Q13393 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL1760891 0.90 TNKS (0.43) ALDH1A1MAPK1LMNAHTTHSD11B1
SCHEMBL2926408 0.89 HSD11B1 (0.46) ALDH1A1MAPK1LMNAHTTHSD11B1
SCHEMBL4054003 0.81 ADORA2A (0.41) ALDH1A1
SCHEMBL2929286 0.79 TNKS (0.39) HSD11B1CHRM1CHRM2CALCRLPLD2
SCHEMBL1760991 0.78 ADORA2A (0.46) ALDH1A1PIK3CD
SCHEMBL12592822 0.78 ADRA1A (0.44) LMNA
SCHEMBL1761049 0.78 MGLL (0.42) ALDH1A1LMNAHTT
SCHEMBL1761065 0.77 ADORA2A (0.40)
SCHEMBL1760989 0.77 TNKS (0.41) MAPK1HSD11B1
SCHEMBL13176908 0.76 ADORA2A (0.48) MAPK1HTTPIK3CD

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 ALDH1A1 676/4885MAPK1 1615/4885LMNA 4674/4885

“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.