SCHEMBL3425935

SCHEMBL3425935

[O]CCCN1CCC[C@@H]1CO

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 6/20 0.47
SPHK2 Q9NRA0 5/20 0.47
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
S1PR1 P21453 3/20 0.42
S1PR3 Q99500 3/20 0.42
S1PR5 Q9H228 3/20 0.42
S1PR4 O95977 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
OPRD1 P41143 2/20 0.40
ADRA1D P25100 3/20 0.39
ADRA1A P35348 3/20 0.39
ADRA1B P35368 3/20 0.39
PARP1 P09874 1/20 0.38
TERT O14746 1/20 0.37

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
SCHEMBL3427373 1.00 SPHK1 (0.47) SPHK1SPHK2POLBL3MBTL1S1PR1
SCHEMBL3429333 1.00 SPHK1 (0.47) SPHK1SPHK2POLBL3MBTL1S1PR1
SCHEMBL4026380 0.94 SPHK1 (0.46) SPHK1SPHK2POLBL3MBTL1S1PR1
SCHEMBL4295779 0.94 SPHK1 (0.46) SPHK1SPHK2POLBL3MBTL1S1PR1
SCHEMBL3426906 0.88 POLB (0.48) SPHK1SPHK2POLBL3MBTL1S1PR1
SCHEMBL3428908 0.88 POLB (0.48) SPHK1SPHK2POLBL3MBTL1S1PR1
SCHEMBL3428778 0.88 POLB (0.48) SPHK1SPHK2POLBL3MBTL1S1PR1
SCHEMBL3429334 0.84 SPHK2 (0.49) SPHK1SPHK2POLBL3MBTL1S1PR1
SCHEMBL3425937 0.84 SPHK2 (0.49) SPHK1SPHK2POLBL3MBTL1S1PR1
SCHEMBL3427378 0.84 SPHK2 (0.49) SPHK1SPHK2POLBL3MBTL1S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2005-03-31 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-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases AURKC, AURKA, AURKB SPHK1 802/4885SPHK2 743/4885POLB 1003/4885
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases AURKC, AURKA, AURKB SPHK1 776/4885SPHK2 815/4885POLB 852/4885
US-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 SPHK1 2758/4885SPHK2 2879/4885POLB 149/4885

“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.