SCHEMBL5027767

SCHEMBL5027767

COc1cc(C#N)c([N+](=O)[O-])cc1OCC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
NSD2 O96028 2/20 0.44
EHMT2 Q96KQ7 1/20 0.42
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
SLC2A1 P11166 1/20 0.41
TGFBR1 P36897 1/20 0.41
EPHX2 P34913 1/20 0.40

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
SCHEMBL5027787 0.83 ABL1 (0.48) SMN1; SMN2NSD2
SCHEMBL28959678 0.81 GPR119 (0.41) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL618037 0.81 GPR119 (0.44) GPR119
SCHEMBL21644472 0.81 ALDH1A1 (0.50) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL27040430 0.80 NSD2 (0.40) GPR119NSD2EHMT2PDE4APDE4B
SCHEMBL27040421 0.80 NSD2 (0.40) GPR119NSD2EHMT2PDE4APDE4B
SCHEMBL29904984 0.80 NSD2 (0.40) GPR119NSD2EHMT2PDE4APDE4B
SCHEMBL5048849 0.79 GPR119 (0.42) GPR119NSD2EHMT2PDE4APDE4B
SCHEMBL5048852 0.79 GPR119 (0.42) GPR119NSD2EHMT2PDE4APDE4B
SCHEMBL1475840 0.78 GAA (0.54) GPR119SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299381-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2008-05-07 EP 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
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 (2 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-20060046987-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKB, AURKC GPR119 2674/4885SMN1; SMN2 3417/4885NSD2 984/4885
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKC, AURKB GPR119 3644/4885SMN1; SMN2 3412/4885NSD2 768/4885

“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.