SCHEMBL1760967

SCHEMBL1760967

COc1ncnc2sc(NC(=O)N3CC[C@@H](NCc4ccc(F)c(C(F)(F)F)c4)C3)nc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.42
PIK3CA P42336 11/20 0.42
PIK3CB P42338 2/20 0.38
PIK3CG P48736 2/20 0.38
PIK3R1 P27986 1/20 0.38
TEAD1 P28347 2/20 0.37
RIPK1 Q13546 1/20 0.36
RIPK3 Q9Y572 1/20 0.36
ENPP2 Q13822 1/20 0.36
ADORA2A P29274 2/20 0.36
ADORA2B P29275 2/20 0.36
ADORA1 P30542 2/20 0.36
HTR2B P41595 1/20 0.36
PRKDC P78527 1/20 0.36
PDE4D Q08499 1/20 0.36
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL12592897 1.00 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL1761043 0.96 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL2931938 0.89 PIK3CD (0.37) PIK3CDPIK3CAPIK3CBPIK3CGRIPK1
SCHEMBL1761044 0.88 ADORA2A (0.40) PIK3CDPIK3CATEAD1ENPP2ADORA2A
SCHEMBL12592960 0.88 ADORA2A (0.40) PIK3CDPIK3CATEAD1ENPP2ADORA2A
SCHEMBL3047619 0.88 RIPK1 (0.37) PIK3CDPIK3CARIPK1RIPK3ADORA2A
SCHEMBL1760984 0.86 TAS1R3 (0.43) PIK3CDPIK3CAPIK3CBPIK3CGRIPK1
SCHEMBL1760905 0.86 TAS1R3 (0.43) PIK3CDPIK3CAPIK3CBPIK3CGRIPK1
SCHEMBL1760928 0.83 FAAH (0.43)
SCHEMBL1760925 0.83 TAS1R3 (0.47) PIK3CDPIK3CAADORA2AADORA2BADORA1

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 10 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
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP claimed
EP-2027132-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-02-25 EP claimed
WO-2007134958-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 WO claimed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 US claimed
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 PIK3CD 1800/4885PIK3CA 1456/4885PIK3CB 1106/4885

“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.