Sugi Predict

Sugi Predict / Compounds / SCHEMBL1761046

SCHEMBL1761046

SCHEMBL1761046

COc1ncnc2sc(NC(=O)N3CCC(S(=O)(=O)c4ccc(C)cc4)C3)nc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 8/20 0.39
▸ ADORA1 P30542 7/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ LMNA P02545 3/20 0.37
▸ KCNQ1 P51787 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ ADORA3 P0DMS8 2/20 0.36
▸ MAPT P10636 4/20 0.35
▸ TP53 P04637 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL1760889 0.87 ADORA2A (0.43) ADORA2AADORA1ADORA2BNAMPTADORA3
SCHEMBL12592880 0.80 ADORA2A (0.42) ADORA2AADORA1ADORA2BADORA3MAPT
SCHEMBL1760877 0.80 ADORA2A (0.42) ADORA2AADORA1ADORA2BADORA3MAPT
SCHEMBL4050561 0.79 PIK3CD (0.41) ADORA2AADORA1
SCHEMBL1760986 0.78 MEN1 (0.50) LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL4049475 0.77 ADORA2A (0.42) ADORA2AADORA1ADORA2BADORA3MAPT
SCHEMBL2930544 0.77 GHSR (0.36) ADORA2AADORA1LMNAKCNQ1ADORA3
SCHEMBL13176908 0.76 ADORA2A (0.48) ADORA2AADORA1ADORA2BADORA3SMN1; SMN2
SCHEMBL1760975 0.76 CCR3 (0.41) ADORA2AADORA1ADORA3MAPTSMN1; SMN2
SCHEMBL4052091 0.76 ADORA2A (0.43) ADORA2AADORA1ADORA3MAPTSMN1; SMN2

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.