SCHEMBL1760974

SCHEMBL1760974

CNc1nc2c(OC)ncnc2s1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.45
ADORA3 P0DMS8 12/20 0.45
ADORA1 P30542 5/20 0.45
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
ALDH1A1 P00352 4/20 0.38
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL14970156 0.77 ALDH1A1 (0.41) ADORA2AADORA3ADORA1ALDH1A1NPC1
SCHEMBL17090613 0.77 ADORA2A (0.44) ADORA2AADORA3ADORA1IKBKBCHUK
SCHEMBL559105 0.76 CYP3A4 (0.40) ADORA2AADORA3ADORA1ALDH1A1NPC1
Hydrochloric Acid SCHEMBL2929855 0.75 CYP3A4 (0.39) ADORA2AADORA3ADORA1ALDH1A1NPC1
SCHEMBL10220647 0.73 ALDH1A1 (0.38) ADORA2AADORA3ADORA1ALDH1A1NPC1
SCHEMBL10272607 0.73 HSD17B10 (0.40) ADORA2AADORA3ADORA1ALDH1A1NPC1
SCHEMBL4046655 0.73 PIK3CG (0.41) ADORA2AADORA3ADORA1NPC1HPGD
SCHEMBL13176908 0.73 ADORA2A (0.48) ADORA2AADORA3ADORA1SMN1; SMN2
SCHEMBL12592908 0.73 PIK3CG (0.41) ADORA2AADORA3ADORA1ALDH1A1NPC1
SCHEMBL1761038 0.72 CCNE1 (0.48) ADORA2AADORA3ADORA1ALDH1A1NPC1

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
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP disclosed
EP-2027132-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-02-25 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
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

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 4/4885ADORA3 7/4885ADORA1 5/4885

“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.