SCHEMBL906231

SCHEMBL906231

COc1cc2c(N3CCN(C(=O)O)C(C(C)(C)C)C3)ncnc2cc1OC(C)C1CCCCN1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.46
PDE3A Q14432 2/20 0.45
PDGFRB P09619 4/20 0.45
PDGFRA P16234 1/20 0.45
ACHE P22303 2/20 0.43
BACE1 P56817 2/20 0.43
AURKA O14965 3/20 0.43
ENPP1 P22413 3/20 0.42
PDE3B Q13370 1/20 0.42
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL906230 0.84 PDE3A (0.49) PDE10APDE3APDGFRBPDGFRAACHE
SCHEMBL29055042 0.81 PDE3A (0.57) PDE10APDE3APDGFRBPDGFRAACHE
SCHEMBL6700740 0.79 KDM1A (0.48) PDE3APDGFRBPDGFRA
SCHEMBL1132415 0.78 PDGFRB (0.51) PDE3APDGFRBPDGFRAACHEBACE1
SCHEMBL906243 0.78 KIT (0.59) PDE3APDGFRBPDGFRAACHEBACE1
SCHEMBL906228 0.77 PDGFRB (0.56) PDGFRBAURKA
SCHEMBL29055060 0.76 PDE3A (0.50) PDE10APDE3APDGFRBPDGFRAACHE
SCHEMBL29055020 0.75 ENPP1 (0.62) PDE10APDE3APDGFRBPDGFRAACHE
SCHEMBL29055063 0.75 KIT (0.55) PDE10APDE3APDGFRBPDGFRAACHE
SCHEMBL2390546 0.71 PDGFRB (0.73) PDGFRBPDGFRA

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 PDE10A 983/4885PDE3A 683/4885PDGFRB 10/4885
US-20130274252-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS WNK2, WNK1, WNK3 PDE10A 983/4885PDE3A 683/4885PDGFRB 10/4885
US-20040176594-A1 Nitrogenous heterocyclic compounds WNK2, NPR1, NPR3 PDE10A 696/4885PDE3A 594/4885PDGFRB 9/4885
US-20100113468-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS WNK2, WNK1, WNK3 PDE10A 983/4885PDE3A 683/4885PDGFRB 10/4885
US-20050101609-A1 Quinazoline derivatives as kinase inhibitors TNNI3K, PDGFRA, TEK PDE10A 1327/4885PDE3A 895/4885PDGFRB 4/4885
US-20090176780-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS WNK2, CDK5, WNK1 PDE10A 765/4885PDE3A 690/4885PDGFRB 6/4885
US-20050288297-A1 Quinazoline derivatives as kinase inhibitors WNK2, WNK1, WNK3 PDE10A 983/4885PDE3A 683/4885PDGFRB 10/4885

“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.