SCHEMBL1761084

SCHEMBL1761084

COc1ccnc2sc(NC(=O)N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)nc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.68
ADORA1 P30542 8/20 0.68
ADORA2B P29275 5/20 0.68
ADORA3 P0DMS8 1/20 0.47
PKLR P30613 1/20 0.44
GRIN2B Q13224 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
CHRM4 P08173 1/20 0.43
POLB P06746 2/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPY5R Q15761 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2931122 0.89 ADORA2A (0.55) ADORA2AADORA1ADORA2BPKLROPRM1
SCHEMBL1760960 0.87 ADORA2A (0.62) ADORA2AADORA1ADORA2BADORA3PKLR
SCHEMBL1761047 0.84 ADORA2A (0.62) ADORA2AADORA1ADORA2BADORA3PKLR
SCHEMBL1760883 0.82 ADORA2B (0.55) ADORA2AADORA1ADORA2BPOLBUSP2
SCHEMBL1761081 0.82 ADORA2A (0.61) ADORA2AADORA1ADORA2BADORA3PKLR
SCHEMBL1761074 0.81 ADORA2A (0.59) ADORA2AADORA1ADORA2BADORA3PKLR
SCHEMBL1761019 0.78 ADORA2A (0.52) ADORA2AADORA1ADORA2BADORA3GRIN2B
SCHEMBL1760896 0.78 ADORA2A (0.52) ADORA2AADORA1ADORA2BADORA3POLB
Hydrochloric Acid SCHEMBL1760943 0.78 ADORA2A (0.51) ADORA2AADORA1ADORA2BADORA3GRIN2B
SCHEMBL2932713 0.76 ADORA2A (0.49) ADORA2AADORA1ADORA2BPKLROPRM1

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

“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.