SCHEMBL906243

SCHEMBL906243

COc1cc2c(N3CCN(C(=O)O)C(C(C)(C)C)C3)ncnc2cc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIT P10721 9/20 0.59
PDGFRB P09619 5/20 0.58
ACHE P22303 2/20 0.56
BACE1 P56817 2/20 0.56
PDGFRA P16234 2/20 0.55
AURKA O14965 2/20 0.55
HTR1A P08908 1/20 0.52
HTR7 P34969 1/20 0.52
PDE3A Q14432 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
SCHEMBL29055063 0.95 KIT (0.55) KITPDGFRBACHEBACE1PDGFRA
SCHEMBL1132415 0.89 PDGFRB (0.51) PDGFRBACHEBACE1PDGFRAAURKA
SCHEMBL19385231 0.87 TLR9 (0.62) KITPDGFRB
SCHEMBL29055042 0.86 PDE3A (0.57) KITPDGFRBACHEBACE1PDGFRA
SCHEMBL906228 0.85 PDGFRB (0.56) KITPDGFRBAURKA
SCHEMBL6338215 0.85 MAPT (0.47) KITPDGFRBACHEBACE1
SCHEMBL20838522 0.84 TLR9 (0.71) KITPDGFRBPDGFRA
SCHEMBL20838519 0.83 TLR9 (0.72) KITPDGFRBPDGFRA
SCHEMBL6345735 0.83 EGFR (0.50) KITPDGFRB
SCHEMBL29055020 0.83 ENPP1 (0.62) PDGFRBACHEBACE1PDGFRAAURKA

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 18 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-20050288297-A1 Quinazoline derivatives as kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-12-29 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 KIT 495/4885PDGFRB 10/4885ACHE 4081/4885
US-20130274252-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS WNK2, WNK1, WNK3 KIT 495/4885PDGFRB 10/4885ACHE 4081/4885
US-20040176594-A1 Nitrogenous heterocyclic compounds WNK2, NPR1, NPR3 KIT 789/4885PDGFRB 9/4885ACHE 2744/4885
US-20100113468-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS WNK2, WNK1, WNK3 KIT 495/4885PDGFRB 10/4885ACHE 4081/4885
US-20090176780-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS WNK2, CDK5, WNK1 KIT 597/4885PDGFRB 6/4885ACHE 4066/4885
US-20050288297-A1 Quinazoline derivatives as kinase inhibitors WNK2, WNK1, WNK3 KIT 495/4885PDGFRB 10/4885ACHE 4081/4885

“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.