SCHEMBL1760940

SCHEMBL1760940

COc1ncnc2sc(NC(=O)N3CCC(NCc4ccc(C(F)(F)F)nc4)CC3)nc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.39
PIK3R1 P27986 5/20 0.39
PIK3CA P42336 2/20 0.38
ADORA2A P29274 7/20 0.38
ADORA1 P30542 6/20 0.38
ADORA2B P29275 3/20 0.37
EPHX2 P34913 1/20 0.37
PIK3CG P48736 1/20 0.37
ENPP2 Q13822 1/20 0.36
TEAD1 P28347 1/20 0.36
FPR1 P21462 1/20 0.36
FPR2 P25090 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
SCHEMBL2927299 0.90 PIK3CG (0.36) PIK3CDPIK3R1PIK3CAADORA2AADORA1
SCHEMBL1761043 0.86 PIK3CD (0.40) PIK3CDPIK3R1PIK3CAADORA2AADORA1
SCHEMBL1761042 0.86 PPARD (0.43)
SCHEMBL12592858 0.85 ADORA2B (0.51) ADORA2AADORA1ADORA2BTEAD1
SCHEMBL12592897 0.82 PIK3CD (0.42) PIK3CDPIK3R1PIK3CAADORA2AADORA1
SCHEMBL1760967 0.82 PIK3CD (0.42) PIK3CDPIK3R1PIK3CAADORA2AADORA1
SCHEMBL1761050 0.81 HPGDS (0.40) ADORA2AADORA1ADORA2B
SCHEMBL2932134 0.78 PPARD (0.42) PIK3CDPIK3R1PIK3CG
SCHEMBL1761011 0.78 CCR3 (0.46) ADORA2AADORA1
SCHEMBL1760897 0.77 ADORA2A (0.41) ADORA2AADORA1ADORA2B

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 PIK3CD 1800/4885PIK3R1 2277/4885PIK3CA 1456/4885

“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.