SCHEMBL5547466

SCHEMBL5547466

COc1cc(C#N)c(N=CN(C)C)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
PKM P14618 1/20 0.37
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 2/20 0.37
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AR P10275 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL29987308 1.00 GAA (0.42) GAAMAOAMAOBMAPTL3MBTL1
SCHEMBL5547462 1.00 GAA (0.42) GAAMAOAMAOBMAPTL3MBTL1
SCHEMBL17341861 0.88 SMN1; SMN2 (0.39) GAAMAOAMAOBMAPTL3MBTL1
SCHEMBL29887867 0.88 GAA (0.38) GAAMAOAMAOBMAPTL3MBTL1
SCHEMBL13750159 0.88 SMN1; SMN2 (0.41) GAAMAOAMAOBMAPTL3MBTL1
SCHEMBL12935310 0.88 GAA (0.38) GAAMAOAMAOBMAPTL3MBTL1
SCHEMBL12964033 0.88 GAA (0.38) GAAMAOAMAOBMAPTL3MBTL1
SCHEMBL3488665 0.88 SMN1; SMN2 (0.41) GAAMAOAMAOBMAPTL3MBTL1
SCHEMBL3488663 0.88 SMN1; SMN2 (0.41) GAAMAOAMAOBMAPTL3MBTL1
SCHEMBL5651723 0.88 SRC (0.40) GAAMAOAMAOBMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070299092-A1 Quinone Substituted Quinazoline and Quinoline Kinase Inhibitors WYETH (US) 2007-12-27 US disclosed
WO-2002000649-A9 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2007-09-20 WO disclosed
WO-2002000649-A9 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2007-09-20 WO disclosed
US-20060046987-A1 Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2006-03-02 US disclosed
WO-2005115145-A2 QUINONE SUBSTITUTED QUINAZOLINE AND QUINOLINE KINASE INHIBITORS WYETH (US) 2005-12-08 WO disclosed
US-6919338-B2 Substituted quinazoline derivatives and their use as inhibitors of aurora-2 kinase ASTRAZENECA AB (SE) 2005-07-19 US disclosed
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2003-10-02 US disclosed
EP-1299381-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS AstraZeneca AB (SE) 2003-04-09 EP disclosed
WO-2002000649-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2002-01-03 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 (3 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-20070299092-A1 Quinone Substituted Quinazoline and Quinoline Kinase Inhibitors KDR, FLT1, FLT4 GAA 2151/4885MAOA 602/4885MAOB 580/4885
US-20060046987-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKB, AURKC GAA 4264/4885MAOA 2371/4885MAOB 2490/4885
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKC, AURKB GAA 3778/4885MAOA 2456/4885MAOB 2549/4885

“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.