SCHEMBL1760989

SCHEMBL1760989

COc1ncnc2sc(NC(=O)N3CCC(n4c(=O)oc5cc(F)ccc54)CC3)nc12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.41
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
ADORA2A P29274 4/20 0.39
ADORA1 P30542 4/20 0.39
HSD11B1 P28845 1/20 0.38
MAPK1 P28482 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1760891 0.78 TNKS (0.43) TNKSPARP1PARP2HSD11B1MAPK1
SCHEMBL1761011 0.77 CCR3 (0.46) ADORA2AADORA1SMN1; SMN2
SCHEMBL1761040 0.77 ALDH1A1 (0.54) HSD11B1MAPK1
SCHEMBL1760991 0.75 ADORA2A (0.46) ADORA2AADORA1
SCHEMBL4054003 0.75 ADORA2A (0.41) ADORA2AADORA1
SCHEMBL13176908 0.74 ADORA2A (0.48) ADORA2AADORA1MAPK1PKMSMN1; SMN2
SCHEMBL1761075 0.73 ADORA2A (0.40) ADORA2AADORA1
SCHEMBL4049475 0.73 ADORA2A (0.42) ADORA2AADORA1
SCHEMBL1761031 0.73 HSD17B10 (0.43)
SCHEMBL4054563 0.72 ADORA2A (0.40) ADORA2AADORA1

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 6 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
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 TNKS 1885/4885PARP1 2792/4885PARP2 1921/4885

“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.