SCHEMBL1760972

SCHEMBL1760972

COc1ncnc2sc(CN)nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MKNK1 Q9BUB5 5/20 0.35
ADORA3 P0DMS8 2/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
LMNA P02545 1/20 0.31
UBE2T Q9NPD8 1/20 0.31
ASIC3 Q9UHC3 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL10272607 0.85 HSD17B10 (0.40) ALDH1A1RAB9ANPC1HPGDTSHR
SCHEMBL559105 0.78 CYP3A4 (0.40) ALDH1A1RAB9ANPC1HPGDTSHR
Hydrochloric Acid SCHEMBL2929855 0.77 CYP3A4 (0.39) ALDH1A1RAB9ANPC1HPGDTSHR
SCHEMBL14970156 0.76 ALDH1A1 (0.41) ALDH1A1RAB9ANPC1HPGDTSHR
SCHEMBL1760974 0.72 ADORA2A (0.45) ALDH1A1RAB9ANPC1HPGDTSHR
SCHEMBL10220647 0.72 ALDH1A1 (0.38) ALDH1A1RAB9ANPC1HPGDTSHR
SCHEMBL12592908 0.69 PIK3CG (0.41) ALDH1A1RAB9ANPC1HPGDTSHR
Trifluoroacetic Acid SCHEMBL2925729 0.67 HSD17B10 (0.36) ALDH1A1RAB9ANPC1HPGDTSHR
SCHEMBL558742 0.66 ALDH1A1 (0.33) ALDH1A1RAB9ANPC1HPGDTSHR
SCHEMBL16013803 0.65 ADORA3 (0.47) ALDH1A1SMN1; SMN2MKNK1ADORA3ADORA2A

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 5 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
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 ALDH1A1 676/4885RAB9A 2338/4885NPC1 3498/4885

“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.