SCHEMBL1760905

SCHEMBL1760905

COc1ncnc2sc(NC(=O)N3CC[C@@H](NC(=O)c4ccc(F)c(C(F)(F)F)c4)C3)nc12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
TAS1R2 Q8TE23 2/20 0.43
PIK3CD O00329 7/20 0.41
PIK3CA P42336 7/20 0.41
PTK2 Q05397 6/20 0.39
RIPK1 Q13546 3/20 0.39
MCHR1 Q99705 1/20 0.38
LRRK2 Q5S007 1/20 0.38
PIK3CB P42338 1/20 0.37
PIK3CG P48736 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
SCHEMBL1760984 1.00 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2PIK3CDPIK3CA
SCHEMBL1760925 0.95 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2PIK3CDPIK3CA
SCHEMBL2931638 0.88 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2PIK3CDPIK3CA
SCHEMBL2932725 0.88 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2PIK3CDPIK3CA
SCHEMBL2931691 0.87 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2PTK2LRRK2
SCHEMBL1760967 0.86 PIK3CD (0.42) PIK3CDPIK3CARIPK1PIK3CBPIK3CG
SCHEMBL12592897 0.86 PIK3CD (0.42) PIK3CDPIK3CARIPK1PIK3CBPIK3CG
SCHEMBL1761048 0.84 HPGDS (0.44) PIK3CDPIK3CALRRK2PIK3CBPIK3CG
SCHEMBL1761043 0.83 PIK3CD (0.40) PIK3CDPIK3CARIPK1PIK3CBPIK3CG
SCHEMBL4049256 0.81 PIK3CD (0.41) 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 TAS1R3 431/4885TAS1R1 312/4885TAS1R2 188/4885

“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.