SCHEMBL906154

SCHEMBL906154

COc1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2cc1O

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.69
ACHE P22303 2/20 0.62
BACE1 P56817 2/20 0.62
PDGFRB P09619 13/20 0.56
PDGFRA P16234 5/20 0.56
ENPP1 P22413 1/20 0.55
AURKA O14965 1/20 0.53
KIT P10721 2/20 0.52
FLT3 P36888 1/20 0.52
MAPK7 Q13164 1/20 0.52

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
SCHEMBL23726540 0.96 TLR9 (0.65) TLR9ACHEBACE1PDGFRBPDGFRA
SCHEMBL30080209 0.96 TLR9 (0.65) TLR9ACHEBACE1PDGFRBPDGFRA
SCHEMBL21415489 0.88 ACHE (0.61) TLR9ACHEBACE1PDGFRBPDGFRA
SCHEMBL23726903 0.88 ACHE (0.67) ACHEBACE1PDGFRBPDGFRAENPP1
SCHEMBL2919932 0.87 ACHE (0.65) TLR9ACHEBACE1PDGFRBPDGFRA
SCHEMBL2912892 0.87 ACHE (0.65) TLR9ACHEBACE1PDGFRBPDGFRA
SCHEMBL2916596 0.86 ACHE (0.64) ACHEBACE1PDGFRBPDGFRAENPP1
SCHEMBL2919338 0.86 ACHE (0.64) ACHEBACE1PDGFRBPDGFRAENPP1
SCHEMBL24010350 0.83 ACHE (0.50) TLR9ACHEBACE1PDGFRBPDGFRA
SCHEMBL30288426 0.83 ACHE (0.50) TLR9ACHEBACE1PDGFRBPDGFRA

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 26 patents — showing the first 20. 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-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
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-20100113468-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-05-06 US disclosed
US-7329655-B2 Nitrogenous heterocyclic compounds MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-12 US 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 (6 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 TLR9 3740/4885ACHE 4081/4885BACE1 4438/4885
US-20130274252-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS WNK2, WNK1, WNK3 TLR9 3740/4885ACHE 4081/4885BACE1 4438/4885
US-20040176594-A1 Nitrogenous heterocyclic compounds WNK2, NPR1, NPR3 TLR9 4257/4885ACHE 2744/4885BACE1 3140/4885
US-20100113468-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS WNK2, WNK1, WNK3 TLR9 3740/4885ACHE 4081/4885BACE1 4438/4885
US-20050101609-A1 Quinazoline derivatives as kinase inhibitors TNNI3K, PDGFRA, TEK TLR9 3825/4885ACHE 3416/4885BACE1 4508/4885
US-20050288297-A1 Quinazoline derivatives as kinase inhibitors WNK2, WNK1, WNK3 TLR9 3740/4885ACHE 4081/4885BACE1 4438/4885

“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.