SCHEMBL663698

SCHEMBL663698

[CH2]CCC1CCCN(CC#N)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.40
KDM2B Q8NHM5 1/20 0.36
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
BCHE P06276 3/20 0.32
CHRM5 P08912 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
DRD2 P14416 1/20 0.31
ADRA2C P18825 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
SCHEMBL4374422 0.86 MAOB (0.40) MAOBKDM2BCTSSCTSKBCHE
SCHEMBL665119 0.86 MAOB (0.38) MAOBKDM2BBCHECHRM5CHRM2
SCHEMBL4374291 0.83 MAOB (0.38) MAOBKDM2BCTSSCTSKBCHE
SCHEMBL4374426 0.83 MAOB (0.40) MAOBKDM2BCTSSCTSKBCHE
SCHEMBL6876590 0.83 MAOB (0.40) MAOBKDM2BCTSSCTSKCHRM5
SCHEMBL4387050 0.82 KDM2B (0.38) MAOBKDM2BBCHECHRM5CHRM2
SCHEMBL9824792 0.81 MAOB (0.39) MAOBKDM2BCTSSCTSKCHRM5
SCHEMBL4374295 0.80 MAOB (0.38) MAOBKDM2BCTSSCTSKBCHE
SCHEMBL9825161 0.79 MAPT (0.47) MAOBCTSK
SCHEMBL9824677 0.79 MAPT (0.43) MAOBCTSKCHRM5ADRA2C

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492560-B2 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2013-07-23 US disclosed
US-8293902-B2 Quinazoline compounds ASTRAZENECA AB (SE) 2012-10-23 US disclosed
US-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors STOKES ELAINE S E (GB) 2012-08-02 US disclosed
CN-1863794-B Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB 2012-04-25 CN disclosed
US-20120046300-A1 Quinazoline Derivatives as Angiogenesis Inhibitors HENNEQUIN LAURENT FRANCOIS ANDRE (FR) 2012-02-23 US disclosed
US-7989460-B2 potent kinase insert domain-containing receptor (KDR) inhibitors with improved selectivity and pharmacokinetics; VEGF (vascular endothelial growth factor) inhibitors; cancer and rheumatoid arthritis; e.g. 7-(2-[4-(acetylmethyl)piperazin-1-yl]ethoxy)-6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline ASTRAZENECA AB (SE) 2011-08-02 US disclosed
EP-2292615-A1 Quinazoline compounds AstraZeneca AB (SE) 2011-03-09 EP disclosed
CN-101607958-A Quinazoline compound ASTRAZENECA AB (SE) 2009-12-23 CN disclosed
US-20090156821-A1 Quinazoline compounds ASTRAZENECA AB 2009-06-18 US disclosed
EP-2050744-A1 Quinazoline derivatives as angiogenesis inhibitors AstraZeneca AB (SE) 2009-04-22 EP disclosed
EP-1313726-A1 QUINOLINE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY AstraZeneca AB (SE) 2003-05-28 EP disclosed
EP-1311500-A2 INDOLE, AZAINDOLE AND INDAZOLE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY AstraZeneca AB (SE) 2003-05-21 EP disclosed
EP-1309587-A1 CINNOLINE COMPOUNDS AstraZeneca AB (SE) 2003-05-14 EP disclosed
CN-1346271-A Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA UK LTD (SE) 2002-04-24 CN disclosed
WO-2002016348-A1 ANTIANGIOGENIC BICYCLIC DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 WO disclosed
WO-2002012227-A2 INDOLE, AZAINDOLE AND INDAZOLE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2002-02-14 WO disclosed
WO-2002012226-A1 QUINOLINE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2002-02-14 WO disclosed
WO-2002012228-A1 CINNOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-02-14 WO disclosed
EP-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 EP disclosed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 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-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors VEGFA, FLT1, KDR MAOB 1952/4885KDM2B 2955/4885CTSS 2112/4885
US-20120046300-A1 Quinazoline Derivatives as Angiogenesis Inhibitors VEGFA, KDR, FLT1 MAOB 2020/4885KDM2B 3843/4885CTSS 1927/4885
US-20090156821-A1 Quinazoline compounds VEGFA, FLT4, FLT1 MAOB 2355/4885KDM2B 1291/4885CTSS 3817/4885

“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.