SCHEMBL3489329

SCHEMBL3489329

COc1cc(C#N)c(/N=C\N(C)C)cc1OCCCCl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.36
MAOA P21397 2/20 0.34
GAA P10253 1/20 0.34
SRC P12931 5/20 0.33
MAPT P10636 1/20 0.33
FDPS P14324 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
WEE2 P0C1S8 2/20 0.32
WEE1 P30291 2/20 0.32
PKMYT1 Q99640 2/20 0.32
AR P10275 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CHEK1 O14757 2/20 0.31
HTR2A P28223 2/20 0.31
STK25 O00506 1/20 0.31
CIT O14578 1/20 0.31
RIOK3 O14730 1/20 0.31
MAP2K7 O14733 1/20 0.31
CASK O14936 1/20 0.31

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
SCHEMBL13749945 1.00 MAOB (0.36) MAOBMAOAGAASRCMAPT
SCHEMBL3489331 1.00 MAOB (0.36) MAOBMAOAGAASRCMAPT
SCHEMBL4299787 0.96 MAOB (0.36) MAOBMAOAGAASRCMAPT
SCHEMBL4299790 0.96 MAOB (0.36) MAOBMAOAGAASRCMAPT
SCHEMBL5042203 0.95 MAOB (0.34) MAOBMAOAGAASRCMAPT
SCHEMBL5042200 0.95 MAOB (0.34) MAOBMAOAGAASRCMAPT
SCHEMBL29577679 0.95 MAOB (0.39) MAOBGAAMAPTSMN1; SMN2ALDH1A1
SCHEMBL17922742 0.90 AR (0.39) MAOBMAOAGAASRCMAPT
SCHEMBL29577872 0.90 GAA (0.37) MAOBGAAMAPTSMN1; SMN2ALDH1A1
SCHEMBL5651729 0.89 SRC (0.40) MAOBMAOAGAASRCMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9567358-B2 Methods of treatment using N-(3-fluorophenyl)-2-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}-quinazolin-4-yl)amino]-1H-pyrazol-5-yl}acetamide ASTRAZENECA AB (SE) 2017-02-14 US disclosed
US-20150307534-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2015-10-29 US disclosed
US-9018191-B2 Phosphonoxy quinazoline derivatives and their pharmaceutical use ASTRAZENECA AB (SE) 2015-04-28 US disclosed
US-20140162984-A1 PHOSPHONOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2014-06-12 US disclosed
US-8268841-B2 Phosphonoxy quinazoline derivatives and their pharmaceutical use ASTRAZENECA AB (SE) 2012-09-18 US disclosed
US-20100069412-A1 PHOSPHONOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2010-03-18 US disclosed
EP-1463506-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases ASTRAZENECA AB (SE) 2009-08-27 US disclosed
EP-1847539-B1 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-08-05 EP disclosed
US-7528121-B2 Aurora kinases inhibitors; antiproliferative agents; specially for solid and haematological tumors; 2-[[3-({4-[(5-{2-[(3-fluorophenyl)amino]-2-oxoethyl}-1H-pyrazol-3-yl)amino]-quinazolin-7-yl}oxy)propyl](ethyl)amino]ethyl dihydrogen phosphate ASTRAZENECA AB (SE) 2009-05-05 US disclosed
US-7407946-B2 Quinazoline compounds ASTRAZENECA AB (SE) 2008-08-05 US disclosed
US-7402585-B2 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2008-07-22 US disclosed
EP-1847539-A1 Quinazoline derivatives AstraZeneca AB (SE) 2007-10-24 EP disclosed
EP-1578755-B1 PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2007-08-22 EP disclosed
US-20060116357-A1 Aurora kinases inhibitors; antiproliferative agents; specially for solid and haematological tumors; 2-[[3-({4-[(5-{2-[(3-fluorophenyl)amino]-2-oxoethyl}-1H-pyrazol-3-yl)amino]-quinazolin-7-yl}oxy)propyl](ethyl)amino]ethyl dihydrogen phosphate ASTRAZENECA AB (SE) 2006-06-01 US disclosed
US-20060058523-A1 Quinazoline compounds ASTRAZENECA AB (SE) 2006-03-16 US disclosed
US-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2005-03-31 US disclosed
EP-1463506-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES Astrazeneca AB (SE) 2004-10-06 EP disclosed
WO-2003055491-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2003-07-10 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-20060058523-A1 Quinazoline compounds NDUFS5, ABL1, NDUFS7 MAOB 722/4885MAOA 949/4885GAA 2157/4885
US-20140162984-A1 PHOSPHONOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE PLK2, ABL1, CYP3A5 MAOB 1093/4885MAOA 982/4885GAA 1023/4885
US-20150307534-A1 CHEMICAL COMPOUNDS ABL1, NQO1, NQO2 MAOB 143/4885MAOA 174/4885GAA 738/4885
US-20100069412-A1 PHOSPHONOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE PLK2, ABL1, CYP3A5 MAOB 1093/4885MAOA 982/4885GAA 1023/4885
US-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases AURKC, AURKA, AURKB MAOB 2983/4885MAOA 3005/4885GAA 1652/4885
US-20060116357-A1 Aurora kinases inhibitors; antiproliferative agents; specially for solid and haematological tumors; 2-[[3-({4-[(5-{2-[(3-fluorophenyl)amino]-2-oxoethyl}-1H-pyrazol-3-yl)amino]-quinazolin-7-yl}oxy)propyl](ethyl)amino]ethyl dihydrogen phosphate AURKA, AURKC, AURKB MAOB 3901/4885MAOA 4021/4885GAA 2652/4885
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases AURKC, AURKA, AURKB MAOB 3041/4885MAOA 3017/4885GAA 2586/4885

“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.