SCHEMBL1760933

SCHEMBL1760933

COc1ncnc2sc(NC(=O)N3CCN(Cc4cccc(C(F)(F)F)c4)CC3)nc12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.54
ADORA2B P29275 5/20 0.50
ADORA2A P29274 4/20 0.50
ADORA1 P30542 4/20 0.50
PHGDH O43175 1/20 0.45
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
RBP4 P02753 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.42
CACNA1G O43497 1/20 0.42

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
SCHEMBL1761017 0.93 CYP2D6 (0.44) FAAHADORA2BADORA2AADORA1PRKAB2
SCHEMBL2927982 0.89 ADORA2B (0.47) FAAHADORA2BADORA2AADORA1PHGDH
SCHEMBL1760981 0.89 FAAH (0.49) FAAHMEN1KMT2AALDH1A1HTT
SCHEMBL1761022 0.88 FAAH (0.58) FAAHPHGDHMEN1KMT2AALDH1A1
SCHEMBL1760906 0.88 FAAH (0.46) FAAHMEN1KMT2AALDH1A1HTT
SCHEMBL1760886 0.88 ADORA2B (0.51) FAAHADORA2BADORA2AADORA1MEN1
SCHEMBL1760953 0.88 FAAH (0.52) FAAHADORA2APHGDHRBP4MEN1
SCHEMBL1760859 0.87 FAAH (0.50) FAAHALDH1A1
SCHEMBL1760883 0.87 ADORA2B (0.55) FAAHADORA2BADORA2AADORA1PHGDH
SCHEMBL1761005 0.87 FAAH (0.50) FAAHMEN1KMT2AALDH1A1HTT

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 FAAH 3269/4885ADORA2B 1/4885ADORA2A 4/4885

“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.