SCHEMBL1067412

SCHEMBL1067412

COc1ccc(Cn2nnc3c(O)nc(O)nc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 2/20 0.59
ADORA3 P0DMS8 1/20 0.47
CNR2 P34972 6/20 0.47
MET P08581 2/20 0.46
TOP2A P11388 1/20 0.44
HPGD P15428 2/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
AKR1C3 P42330 3/20 0.43
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL1070489 0.80 PDE8B (0.57) PDE8BADORA3CNR2METTOP2A
SCHEMBL3392762 0.78 PDE8B (0.63) PDE8BADORA3CNR2METHPGD
SCHEMBL14911943 0.76 CNR2 (0.60) PDE8BCNR2
SCHEMBL4928309 0.75 ALDH1A1 (0.52) PDE8BMETHPGDTP53ALDH1A1
SCHEMBL1957956 0.72 GRM2 (0.50) PDE8BTOP2AAKR1C3
SCHEMBL18614407 0.72 PDE8B (0.51) PDE8BCNR2METTOP2AHPGD
SCHEMBL4931759 0.71 ALDH1A1 (0.63) ADORA3HPGDTP53L3MBTL1ALDH1A1
SCHEMBL2883133 0.71 PDE8B (0.46) PDE8BMETTOP2AAKR1C3ALOX15
SCHEMBL4109782 0.71 NPBWR1 (0.46) METAKR1C3ALOX15ALDH1A1
SCHEMBL22857612 0.71 AKR1C3 (0.47) PDE8BMETTOP2AAKR1C3ALOX15

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271630-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2016-03-23 EP disclosed
EP-2782915-B1 [1,2,3]TRIAZOLO[4,5-d]PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 AGONISTS HOFFMANN LA ROCHE (CH) 2015-09-30 EP disclosed
EP-2782915-B1 [1,2,3]TRIAZOLO[4,5-d]PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 AGONISTS HOFFMANN LA ROCHE (CH) 2015-09-30 EP disclosed
US-9067943-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-30 US disclosed
US-9067943-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-30 US disclosed
US-9067943-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-30 US disclosed
EP-2782915-A1 [1, 2, 3]TRIAZOLO [4, 5 -D]PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2014-10-01 EP disclosed
US-8592432-B2 Compounds and compositions as protein kinase inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-11-26 US disclosed
US-20130137676-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-30 US disclosed
US-20130137676-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-30 US disclosed
US-20130137676-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-30 US disclosed
WO-2013076182-A1 [1, 2, 3]TRIAZOLO [4, 5 -D] PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-05-30 WO disclosed
WO-2013076182-A1 [1, 2, 3]TRIAZOLO [4, 5 -D] PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-05-30 WO disclosed
US-20110135668-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-06-09 US disclosed
US-20110135668-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-06-09 US disclosed
EP-2271630-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-01-12 EP disclosed
WO-2009126515-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-10-15 WO 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 (2 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-20110135668-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ROS1, INSR, IGF1R PDE8B 1616/4885ADORA3 2189/4885CNR2 1745/4885
US-20130137676-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES TYMS, TBXA2R, TYMP PDE8B 1554/4885ADORA3 16/4885CNR2 135/4885

“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.