SCHEMBL1760880

SCHEMBL1760880

COc1ncnc2sc(NC(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)nc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.42
ADORA2A P29274 5/20 0.41
ADORA1 P30542 4/20 0.41
CFTR P13569 2/20 0.40
ATM Q13315 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
PARP1 P09874 3/20 0.40
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
MAP4K4 O95819 2/20 0.38
NTRK1 P04629 1/20 0.38
MERTK Q12866 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
PIK3CD O00329 1/20 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 0.95 HDAC3 (0.46) NAMPTADORA2AADORA1CFTRHDAC3
SCHEMBL1761083 0.95 HDAC3 (0.46) NAMPTADORA2AADORA1CFTRHDAC3
SCHEMBL12592888 0.95 HDAC3 (0.46) NAMPTADORA2AADORA1CFTRHDAC3
SCHEMBL4049475 0.88 ADORA2A (0.42) ADORA2AADORA1PIK3CD
SCHEMBL1760961 0.85 MAPT (0.41) NAMPTADORA2AADORA1MAP4K4PIK3CD
SCHEMBL4050561 0.82 PIK3CD (0.41) ADORA2AADORA1PIK3CD
SCHEMBL13176908 0.81 ADORA2A (0.48) ADORA2AADORA1PIK3CD
SCHEMBL1760993 0.80 CFTR (0.50) NAMPTADORA2AADORA1CFTRHDAC3
SCHEMBL12592953 0.80 CFTR (0.50) NAMPTADORA2AADORA1CFTRHDAC3
SCHEMBL4054563 0.79 ADORA2A (0.40) 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 9 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
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
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
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 NAMPT 456/4885ADORA2A 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.