SCHEMBL1761027

SCHEMBL1761027

COc1ncnc2sc(NC(=O)N3CCCC(Cc4cccc(C(F)(F)F)c4)C3)nc12

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 11/20 0.46
ADORA2A P29274 10/20 0.46
ADORA1 P30542 10/20 0.46
CCR3 P51677 3/20 0.42
RIPK1 Q13546 2/20 0.41
LOXL2 Q9Y4K0 2/20 0.41
FAAH O00519 1/20 0.41

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
SCHEMBL1760886 0.92 ADORA2B (0.51) ADORA2BADORA2AADORA1CCR3FAAH
SCHEMBL2925314 0.88 ADORA2B (0.42) ADORA2BADORA2AADORA1RIPK1
SCHEMBL1760897 0.86 ADORA2A (0.41) ADORA2BADORA2AADORA1CCR3FAAH
SCHEMBL12592858 0.84 ADORA2B (0.51) ADORA2BADORA2AADORA1
SCHEMBL1760986 0.83 MEN1 (0.50) CCR3FAAH
SCHEMBL1760933 0.83 FAAH (0.54) ADORA2BADORA2AADORA1FAAH
SCHEMBL1761064 0.81 ADORA2A (0.63) ADORA2BADORA2AADORA1
SCHEMBL1761037 0.81 ADORA2A (0.61) ADORA2BADORA2AADORA1
SCHEMBL1761079 0.81 LMNA (0.57) ADORA2BADORA2AADORA1
SCHEMBL1760934 0.79 ADORA2A (0.43) ADORA2BADORA2AADORA1

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 ADORA2B 1/4885ADORA2A 4/4885ADORA1 5/4885

“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.