SCHEMBL1761083

SCHEMBL1761083

COc1ncnc2sc(NC(=O)N3CCC(NC(=O)OC(C)(C)C)C3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
CFTR P13569 2/20 0.42
PARP1 P09874 1/20 0.41
MAP4K4 O95819 2/20 0.41
CYP2C9 P11712 1/20 0.39
HSD11B1 P28845 1/20 0.39
NAMPT P43490 1/20 0.39
PIK3CD O00329 3/20 0.38
PIK3CA P42336 3/20 0.38
ADORA2A P29274 4/20 0.38
ADORA1 P30542 2/20 0.38
CTSK P43235 2/20 0.38
KDM4D Q6B0I6 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
JAK3 P52333 1/20 0.38
BTK Q06187 1/20 0.38
ADORA2B P29275 2/20 0.37

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
SCHEMBL1760898 1.00 HDAC3 (0.46) HDAC3HDAC1HDAC2CFTRPARP1
SCHEMBL12592888 1.00 HDAC3 (0.46) HDAC3HDAC1HDAC2CFTRPARP1
SCHEMBL1760880 0.95 NAMPT (0.42) HDAC3HDAC1HDAC2CFTRPARP1
SCHEMBL4050561 0.88 PIK3CD (0.41) PIK3CDPIK3CAADORA2AADORA1
SCHEMBL1760993 0.85 CFTR (0.50) HDAC3HDAC1HDAC2CFTRPARP1
SCHEMBL12592953 0.85 CFTR (0.50) HDAC3HDAC1HDAC2CFTRPARP1
SCHEMBL4049475 0.82 ADORA2A (0.42) PIK3CDPIK3CAADORA2AADORA1ADORA2B
SCHEMBL12592880 0.81 ADORA2A (0.42) HDAC1HDAC2PIK3CDPIK3CAADORA2A
SCHEMBL1760877 0.81 ADORA2A (0.42) HDAC1HDAC2PIK3CDPIK3CAADORA2A
SCHEMBL1760961 0.81 MAPT (0.41) MAP4K4NAMPTPIK3CDADORA2AADORA1

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 6 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
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP disclosed
EP-2027132-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-02-25 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
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

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 HDAC3 3905/4885HDAC1 2936/4885HDAC2 1922/4885

“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.