SCHEMBL3429565

SCHEMBL3429565

[O]CC1CCCN1CCO

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 2/20 0.38
S1PR1 P21453 3/20 0.37
S1PR3 Q99500 3/20 0.37
S1PR5 Q9H228 3/20 0.37
S1PR4 O95977 1/20 0.37
SPHK2 Q9NRA0 2/20 0.36
SPHK1 Q9NYA1 2/20 0.36
OPRD1 P41143 3/20 0.35
ADRA1D P25100 3/20 0.34
ADRA1A P35348 3/20 0.34
ADRA1B P35368 3/20 0.34
ALDH1A1 P00352 1/20 0.33
TERT O14746 1/20 0.32

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
SCHEMBL3427097 1.00 POLB (0.39) POLBL3MBTL1HTTS1PR1S1PR3
SCHEMBL5048269 1.00 POLB (0.39) POLBL3MBTL1HTTS1PR1S1PR3
SCHEMBL28957137 0.94 S1PR1 (0.38) POLBL3MBTL1HTTS1PR1S1PR3
SCHEMBL3431942 0.83 SPHK2 (0.47) POLBL3MBTL1HTTSPHK2SPHK1
SCHEMBL3429567 0.83 SPHK2 (0.47) POLBL3MBTL1HTTSPHK2SPHK1
SCHEMBL3427098 0.83 SPHK2 (0.47) POLBL3MBTL1HTTSPHK2SPHK1
SCHEMBL6636120 0.81 S1PR1 (0.41) POLBL3MBTL1HTTS1PR1S1PR3
SCHEMBL23702487 0.79 SPHK2 (0.36) POLBL3MBTL1HTTS1PR1S1PR3
SCHEMBL2893693 0.79 HRH3 (0.37) POLBL3MBTL1HTTS1PR1S1PR3
SCHEMBL12067113 0.79 SPHK2 (0.42) POLBL3MBTL1HTTS1PR1S1PR3

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 15 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
EP-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 EP claimed
CN-1809557-B Compound ASTRAZENECA AB 2012-07-04 CN disclosed
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
CN-1809557-A Compound ASTRAZENECA AB (SE) 2006-07-26 CN 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-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 WO disclosed
CN-1205335-A Tricyclic diazepine vasopression antagonists AMERICAN CYANAMID CO (US) 1999-01-20 CN 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-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases AURKC, AURKA, AURKB POLB 1003/4885L3MBTL1 4131/4885HTT 4104/4885
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases AURKC, AURKA, AURKB POLB 852/4885L3MBTL1 3981/4885HTT 4587/4885
US-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 POLB 149/4885L3MBTL1 4849/4885HTT 1849/4885

“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.