SCHEMBL3424285

SCHEMBL3424285

OCCCN1CCC(CCO)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.48
HRH3 Q9Y5N1 1/20 0.48
CHRM2 P08172 8/20 0.43
CHRM1 P11229 8/20 0.43
CHRM3 P20309 7/20 0.43
CHRM4 P08173 6/20 0.43
CHRM5 P08912 6/20 0.43
DRD3 P35462 5/20 0.43
DRD2 P14416 4/20 0.43
DRD4 P21917 3/20 0.43
GNAO1 P09471 1/20 0.42
HTR1A P08908 2/20 0.39
SLC6A2 P23975 2/20 0.39
ADRA1A P35348 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KCNH2 Q12809 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
ADRB2 P07550 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
SCHEMBL4664118 0.88 HRH3 (0.56) ACHEHRH3CHRM2CHRM1CHRM3
SCHEMBL4667713 0.88 HRH3 (0.52) ACHEHRH3CHRM2CHRM1CHRM3
SCHEMBL1318049 0.86 SLC18A3 (0.46) ACHEHRH3CHRM2CHRM1CHRM3
SCHEMBL6327507 0.86 ACHE (0.45) ACHEHRH3CHRM2CHRM1CHRM3
SCHEMBL3424280 0.86 ACHE (0.45) ACHEHRH3CHRM2CHRM1CHRM3
SCHEMBL6951732 0.86 GNAO1 (0.54) ACHEHRH3CHRM2CHRM1CHRM3
SCHEMBL4666488 0.86 HRH3 (0.58) ACHEHRH3CHRM2CHRM1CHRM3
SCHEMBL3271082 0.86 ACHE (0.51) ACHEHRH3CHRM2CHRM1CHRM3
SCHEMBL2116583 0.86 CHRM1 (0.43) ACHEHRH3CHRM2CHRM1CHRM3
SCHEMBL3954938 0.86 CHRM1 (0.43) ACHEHRH3CHRM2CHRM1CHRM3

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 ACHE 4044/4885HRH3 2418/4885CHRM2 4373/4885
US-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases AURKC, AURKA, AURKB ACHE 2448/4885HRH3 1050/4885CHRM2 2239/4885
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases AURKC, AURKA, AURKB ACHE 3772/4885HRH3 1536/4885CHRM2 3635/4885
US-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 ACHE 2078/4885HRH3 1333/4885CHRM2 3846/4885

“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.