SCHEMBL3429980

SCHEMBL3429980

CCN(CCO)CCC[O]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ARG1 P05089 1/20 0.38
ARG2 P78540 1/20 0.38
PAOX Q6QHF9 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 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
SCHEMBL3431190 0.91 HSD17B10 (0.38) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL147823 0.85
SCHEMBL1318786 0.85 MAPT (0.36) MAPK1ALDH1A1NPSR1MAPTKDM4E
SCHEMBL7837862 0.85 CYP1A2 (0.54) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL3428937 0.84 CYP1A2 (0.33) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL13488737 0.82 CYP1A2 (0.52) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL18158087 0.82 CYP1A2 (0.52) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL3920017 0.82 CYP1A2 (0.52) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL3427323 0.82 KCNH2 (0.37) PAOXALDH1A1CHRM2HTR1AADRA2A
SCHEMBL3429982 0.82 CYP1A2 (0.52) CYP1A2CYP2C9HPGDMAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463506-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2009-10-21 EP claimed
US-7402585-B2 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2008-07-22 US claimed
US-7691867-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-04-06 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
US-7402585-B2 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2008-07-22 US disclosed
EP-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 EP disclosed
US-20060270692-A1 Chemical compounds ASTRAZENECA AB (SE) 2006-11-30 US disclosed
US-20060178382-A1 Chinazoline derivatives as aurora kinase inhibitors ASTRAZENECA AB (SE) 2006-08-10 US disclosed
EP-1644361-A1 CHINAZOLINE DERIVATIVES AS AURORA KINASE INHIBITORS Astrazeneca AB (SE) 2006-04-12 EP disclosed
EP-1613619-A1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER AstraZeneca AB (SE) 2006-01-11 EP disclosed
US-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2005-03-31 US disclosed
WO-2004113324-A1 CHINAZOLINE DERIVATIVES AS AURORA KINASE INHIBITORS ASTRAZENECA AB (SE) 2004-12-29 WO disclosed
WO-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 WO 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 (4 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-20060178382-A1 Chinazoline derivatives as aurora kinase inhibitors AURKA, AURKC, AURKB CYP1A2 1039/4885CYP2C9 1424/4885HPGD 3954/4885
US-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases AURKC, AURKA, AURKB CYP1A2 2009/4885CYP2C9 3423/4885HPGD 2679/4885
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases AURKC, AURKA, AURKB CYP1A2 2634/4885CYP2C9 3529/4885HPGD 3178/4885
US-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 CYP1A2 266/4885CYP2C9 815/4885HPGD 74/4885

“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.