SCHEMBL1760883

SCHEMBL1760883

COc1ccnc2sc(NC(=O)N3CCN(Cc4cccc(C(F)(F)F)c4)CC3)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 7/20 0.55
ADORA2A P29274 6/20 0.55
ADORA1 P30542 6/20 0.55
FAAH O00519 6/20 0.54
NPC1 O15118 1/20 0.46
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
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL2932113 0.89 ADORA2B (0.52) ADORA2BADORA2AADORA1FAAHPHGDH
SCHEMBL1760933 0.87 FAAH (0.54) ADORA2BADORA2AADORA1FAAHNPC1
SCHEMBL1761084 0.82 ADORA2A (0.68) ADORA2BADORA2AADORA1USP2LMNA
SCHEMBL1761017 0.79 CYP2D6 (0.44) ADORA2BADORA2AADORA1FAAHPRKAB2
SCHEMBL1760930 0.77 FAAH (0.45) ADORA2BADORA2AADORA1FAAHPRKAB2
SCHEMBL1760981 0.76 FAAH (0.49) FAAHMEN1KMT2A
SCHEMBL2927982 0.76 ADORA2B (0.47) ADORA2BADORA2AADORA1FAAHPHGDH
SCHEMBL1760886 0.75 ADORA2B (0.51) ADORA2BADORA2AADORA1FAAHMEN1
SCHEMBL1760906 0.75 FAAH (0.46) FAAHMEN1KMT2A
SCHEMBL1761022 0.75 FAAH (0.58) FAAHPHGDHLMNAMEN1KMT2A

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 7 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 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 ADORA2B 1/4885ADORA2A 4/4885ADORA1 5/4885

“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.