Sugi Predict

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SCHEMBL1761037

SCHEMBL1761037

COc1ncnc2sc(NC(=O)N3CCC(c4cccc(C(F)(F)F)c4)CC3)nc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 8/20 0.61
▸ ADORA1 P30542 8/20 0.61
▸ ADORA2B P29275 7/20 0.61
▸ CHRM4 P08173 1/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ SPR P35270 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CCR2 P41597 1/20 0.39
▸ SOS1 Q07889 1/20 0.39
▸ JAK2 O60674 1/20 0.39

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
SCHEMBL2930871 0.89 ADORA2A (0.49) ADORA2AADORA1ADORA2BESR1ESR2
SCHEMBL1760886 0.87 ADORA2B (0.51) ADORA2AADORA1ADORA2BSMN1; SMN2MEN1
SCHEMBL1761064 0.86 ADORA2A (0.63) ADORA2AADORA1ADORA2BSPR
SCHEMBL12592858 0.85 ADORA2B (0.51) ADORA2AADORA1ADORA2BNPC1
SCHEMBL1761079 0.85 LMNA (0.57) ADORA2AADORA1ADORA2BESR1LMNA
SCHEMBL1760933 0.83 FAAH (0.54) ADORA2AADORA1ADORA2BMEN1HTT
SCHEMBL1760960 0.83 ADORA2A (0.62) ADORA2AADORA1ADORA2BCHRM4LMNA
SCHEMBL1761019 0.82 ADORA2A (0.52) ADORA2AADORA1ADORA2BLMNAMAPT
Hydrochloric Acid SCHEMBL1760943 0.82 ADORA2A (0.51) ADORA2AADORA1ADORA2BLMNAMAPT
SCHEMBL1760945 0.81 LMNA (0.47) ADORA2AADORA1ADORA2BLMNAMAPT

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 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.