Sugi Predict

Sugi Predict / Compounds / SCHEMBL1761081

SCHEMBL1761081

SCHEMBL1761081

COc1nc(SC)nc2sc(NC(=O)N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)nc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.61
▸ ADORA1 P30542 5/20 0.61
▸ ADORA2B P29275 4/20 0.61
▸ OPRM1 P35372 2/20 0.42
▸ OPRL1 P41146 1/20 0.42
▸ CHRM4 P08173 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ PKLR P30613 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ ADORA3 P0DMS8 1/20 0.38
▸ S1PR2 O95136 2/20 0.38
▸ SOS1 Q07889 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 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
SCHEMBL1761047 0.90 ADORA2A (0.62) ADORA2AADORA1ADORA2BOPRM1OPRL1
SCHEMBL1761074 0.87 ADORA2A (0.59) ADORA2AADORA1ADORA2BOPRM1OPRL1
SCHEMBL1760960 0.87 ADORA2A (0.62) ADORA2AADORA1ADORA2BOPRM1OPRL1
SCHEMBL1761084 0.82 ADORA2A (0.68) ADORA2AADORA1ADORA2BOPRM1OPRL1
SCHEMBL2927447 0.79 ADORA2A (0.49) ADORA2AADORA1ADORA2BOPRM1OPRL1
SCHEMBL1761019 0.78 ADORA2A (0.52) ADORA2AADORA1ADORA2BGRIN2BADORA3
Hydrochloric Acid SCHEMBL1760943 0.78 ADORA2A (0.51) ADORA2AADORA1ADORA2BGRIN2BADORA3
SCHEMBL2925675 0.77 ADORA2A (0.47) ADORA2AADORA1ADORA2BOPRM1OPRL1
SCHEMBL1760896 0.76 ADORA2A (0.52) ADORA2AADORA1ADORA2BADORA3SOS1
SCHEMBL2932713 0.76 ADORA2A (0.49) ADORA2AADORA1ADORA2BOPRM1OPRL1

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.