SCHEMBL1761049

SCHEMBL1761049

COc1ncnc2sc(NC(=O)N3CCC(N4CCC(c5ccccc5)C4)CC3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.42
RAB9A P51151 8/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
NPC1 O15118 6/20 0.41
TP53 P04637 4/20 0.41
AGTR2 P50052 1/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADORA2A P29274 4/20 0.40
ADORA1 P30542 4/20 0.40
ADORA2B P29275 1/20 0.40
CCR3 P51677 1/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
HTT P42858 2/20 0.39
STAT1 P42224 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
SCHEMBL3053848 0.88 OGA (0.40) MGLLSMN1; SMN2AGTR2MAPTALDH1A1
SCHEMBL4054003 0.86 ADORA2A (0.41) TP53MAPTALDH1A1HSD17B10ADORA2A
SCHEMBL1761065 0.84 ADORA2A (0.40) RAB9ASMN1; SMN2NPC1TP53ADORA2A
SCHEMBL12592822 0.83 ADRA1A (0.44) RAB9ANPC1TP53ADORA2AADORA1
Trifluoroacetic Acid SCHEMBL1760939 0.83 ADORA2A (0.39) ALDH1A1KDM4EADORA2AADORA1ADORA2B
Trifluoroacetic Acid SCHEMBL1760996 0.80 ADRA1A (0.40) TP53ADORA2AADORA1ADORA2B
Trifluoroacetic Acid SCHEMBL1761010 0.80 ADORA2A (0.39) ADORA2AADORA1ADORA2BFAAH
SCHEMBL1761037 0.80 ADORA2A (0.61) SMN1; SMN2NPC1MAPTHSD17B10ADORA2A
SCHEMBL1760991 0.80 ADORA2A (0.46) MAPTALDH1A1HSD17B10ADORA2AADORA1
Trifluoroacetic Acid SCHEMBL1760971 0.80 MGLL (0.39) MGLLRAB9ASMN1; SMN2NPC1AGTR2

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 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
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 MGLL 4272/4885RAB9A 2338/4885SMN1; SMN2 2931/4885

“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.