SCHEMBL1760993

SCHEMBL1760993

COc1ccnc2sc(NC(=O)N3CCC(NC(=O)OC(C)(C)C)C3)nc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.50
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
ADORA2A P29274 11/20 0.45
ADORA1 P30542 8/20 0.45
PARP1 P09874 1/20 0.44
KDM4D Q6B0I6 2/20 0.43
PDE4B Q07343 1/20 0.43
PDE11A Q9HCR9 1/20 0.43
PDE10A Q9Y233 1/20 0.43
ADORA2B P29275 3/20 0.42
ADORA3 P0DMS8 1/20 0.42
NAMPT P43490 1/20 0.40

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
SCHEMBL12592953 1.00 CFTR (0.50) CFTRHDAC3HDAC1HDAC2ADORA2A
SCHEMBL12592888 0.85 HDAC3 (0.46) CFTRHDAC3HDAC1HDAC2ADORA2A
SCHEMBL1761083 0.85 HDAC3 (0.46) CFTRHDAC3HDAC1HDAC2ADORA2A
SCHEMBL1760898 0.85 HDAC3 (0.46) CFTRHDAC3HDAC1HDAC2ADORA2A
SCHEMBL12592956 0.82 ADORA2A (0.50) HDAC1HDAC2ADORA2AADORA1ADORA2B
SCHEMBL1760842 0.82 ADORA2A (0.50) HDAC1HDAC2ADORA2AADORA1ADORA2B
SCHEMBL1760880 0.80 NAMPT (0.42) CFTRHDAC3HDAC1HDAC2ADORA2A
SCHEMBL12592960 0.76 ADORA2A (0.40) ADORA2AADORA1ADORA2B
SCHEMBL1761044 0.76 ADORA2A (0.40) ADORA2AADORA1ADORA2B
SCHEMBL4049256 0.73 PIK3CD (0.41) ADORA2AADORA1

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 5 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
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 CFTR 83/4885HDAC3 3905/4885HDAC1 2936/4885

“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.