SCHEMBL1761048

SCHEMBL1761048

COc1ncnc2sc(NC(=O)N3CCN(C(=O)c4ccc(F)c(C(F)(F)F)c4)CC3)nc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.44
LRRK2 Q5S007 4/20 0.40
PIK3CD O00329 2/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CB P42338 2/20 0.38
PIK3CG P48736 2/20 0.38
PDE2A O00408 1/20 0.38
P2RX7 Q99572 1/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
MPL P40238 2/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
KCNH2 Q12809 1/20 0.37
MAPK7 Q13164 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
SCHEMBL2931313 0.90 LRRK2 (0.38) HPGDSLRRK2PIK3CDPIK3CAPIK3CB
SCHEMBL1760925 0.87 TAS1R3 (0.47) LRRK2PIK3CDPIK3CAUSP2
SCHEMBL1760928 0.86 FAAH (0.43)
SCHEMBL1761050 0.85 HPGDS (0.40) HPGDSLRRK2USP2CYP3A4KCNH2
SCHEMBL1760905 0.84 TAS1R3 (0.43) LRRK2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1760984 0.84 TAS1R3 (0.43) LRRK2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1760980 0.83 HPGDS (0.51) HPGDS
SCHEMBL1761043 0.82 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBPIK3CGP2RX7
SCHEMBL1760927 0.80 SCD (0.40) LRRK2PIK3CGABL1BCRMPL
SCHEMBL12592897 0.79 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBPIK3CG

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 HPGDS 1208/4885LRRK2 4183/4885PIK3CD 1800/4885

“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.