SCHEMBL5027787

SCHEMBL5027787

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.48
SRC P12931 8/20 0.48
ABL2 P42684 8/20 0.48
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
SIRT6 Q8N6T7 1/20 0.40
KDR P35968 1/20 0.40
EGFR P00533 1/20 0.40
CYP2D6 P10635 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NSD2 O96028 1/20 0.39

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
SCHEMBL5025199 0.85 TDP1 (0.40) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL8305831 0.84 EHMT2 (0.44) ABL1SRCABL2ALDH1A1MAPT
SCHEMBL5027767 0.83 GPR119 (0.45) SMN1; SMN2NSD2
SCHEMBL5025184 0.81 SRC (0.50) ABL1SRCABL2ALDH1A1SIRT6
SCHEMBL4430393 0.81 KDM4E (0.46) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL30017059 0.81 LMNA (0.48) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL21473658 0.81 LMNA (0.48) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL5023831 0.80 ABL1 (0.52) ABL1SRCABL2KDREGFR
SCHEMBL2773208 0.79 MAPT (0.53) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL8305629 0.79 POLB (0.42) ABL1SRCABL2SMN1; SMN2MEN1

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 6 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
US-20070299092-A1 Quinone Substituted Quinazoline and Quinoline Kinase Inhibitors WYETH (US) 2007-12-27 US 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

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 ABL1 64/4885SRC 960/4885ABL2 508/4885
US-20060046987-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKB, AURKC ABL1 188/4885SRC 364/4885ABL2 843/4885
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKC, AURKB ABL1 143/4885SRC 347/4885ABL2 874/4885

“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.