SCHEMBL906230

SCHEMBL906230

COc1cc2c(N3CCN(C(=O)O)C(C(C)(C)C)C3)ncnc2cc1OCCC1CCCCN1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 2/20 0.49
TLR9 Q9NR96 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
PDE10A Q9Y233 3/20 0.46
HTR1A P08908 3/20 0.46
HTR7 P34969 3/20 0.46
PDGFRB P09619 4/20 0.45
AURKA O14965 2/20 0.45
ENPP1 P22413 3/20 0.45
PDGFRA P16234 1/20 0.45
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43

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
SCHEMBL6700740 0.95 KDM1A (0.48) PDE3ATLR9TLR7PDGFRBPDGFRA
SCHEMBL1132415 0.85 PDGFRB (0.51) PDE3AHTR1AHTR7PDGFRBAURKA
SCHEMBL906228 0.84 PDGFRB (0.56) TLR9TLR7PDGFRBAURKA
SCHEMBL906231 0.84 PDE10A (0.46) PDE3APDE10AHTR1AHTR7PDGFRB
SCHEMBL29055042 0.81 PDE3A (0.57) PDE3APDE10APDGFRBAURKAENPP1
SCHEMBL906243 0.81 KIT (0.59) PDE3AHTR1AHTR7PDGFRBAURKA
SCHEMBL1132496 0.81 ENPP1 (0.58) PDE3ATLR9TLR7PDE10APDGFRB
SCHEMBL7154861 0.80 TLR9 (0.56) PDE3ATLR9TLR7PDE10AAURKA
SCHEMBL29055063 0.78 KIT (0.55) PDE3APDE10APDGFRBAURKAPDGFRA
SCHEMBL29055020 0.78 ENPP1 (0.62) PDE3APDE10APDGFRBAURKAENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150133439-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2015-05-14 US disclosed
US-20130274252-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2013-10-17 US disclosed
US-8324205-B2 Quinazoline derivatives as kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-8022071-B2 Nitrogenous heterocyclic compounds MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-20 US disclosed
EP-1309568-B1 [(quinazolin-4-yl)piperazin-4-yl]thiocarboxamide compounds as inhibitors of the phosphorylation of a PDGF receptor MILLENNIUM PHARM INC (US) 2011-02-16 EP disclosed
EP-2277877-A1 Quinazoline derivatives as kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-26 EP disclosed
US-20100113468-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-05-06 US disclosed
US-7560461-B2 Quinazoline derivatives as kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-14 US disclosed
US-20090176780-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-09 US disclosed
EP-1964839-A2 Quinazoline derivatives as kinase inhibitors Millennium Pharmaceuticals, Inc. (US) 2008-09-03 EP disclosed
EP-1315715-B1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS MILLENNIUM PHARM INC (US) 2008-07-23 EP disclosed
US-7329655-B2 Nitrogenous heterocyclic compounds MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-12 US disclosed
US-6982266-B2 N-(4-indol-5-yloxyphenyl){4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazinyl}carboxamide for example; antiproliferative agents which inhibit phosphorylation of kinases such as tyrosine kinase; cancer, arteriosclerosis MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-03 US disclosed
US-20050288297-A1 Quinazoline derivatives as kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-12-29 US disclosed
US-20050101609-A1 Quinazoline derivatives as kinase inhibitors KYOWA HAKKO KOGYO CO, LTD. (JP) 2005-05-12 US disclosed
US-20040176594-A1 Nitrogenous heterocyclic compounds MILLENNIUM PHARMACEUTICALS, INC. 2004-09-09 US disclosed
EP-1315715-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2003-06-04 EP disclosed
EP-1309568-A2 NITROGENOUS HETEROCYCLIC COMPOUNDS Millennium Pharmaceuticals, Inc. (US) 2003-05-14 EP disclosed
WO-2002016361-A2 NITROGENOUS HETEROCYCLIC COMPOUNDS COR THERAPEUTICS, INC. (US) 2002-02-28 WO disclosed
WO-2002016351-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS COR THERAPEUTICS, INC. (US) 2002-02-28 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 (7 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-20150133439-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS WNK2, WNK1, WNK3 PDE3A 683/4885TLR9 3740/4885TLR7 3736/4885
US-20130274252-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS WNK2, WNK1, WNK3 PDE3A 683/4885TLR9 3740/4885TLR7 3736/4885
US-20040176594-A1 Nitrogenous heterocyclic compounds WNK2, NPR1, NPR3 PDE3A 594/4885TLR9 4257/4885TLR7 4782/4885
US-20100113468-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS WNK2, WNK1, WNK3 PDE3A 683/4885TLR9 3740/4885TLR7 3736/4885
US-20050101609-A1 Quinazoline derivatives as kinase inhibitors TNNI3K, PDGFRA, TEK PDE3A 895/4885TLR9 3825/4885TLR7 3312/4885
US-20090176780-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS WNK2, CDK5, WNK1 PDE3A 690/4885TLR9 3506/4885TLR7 4456/4885
US-20050288297-A1 Quinazoline derivatives as kinase inhibitors WNK2, WNK1, WNK3 PDE3A 683/4885TLR9 3740/4885TLR7 3736/4885

“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.