SCHEMBL3425937

SCHEMBL3425937

OCCCN1CCC[C@@H]1CO

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 5/20 0.49
SPHK1 Q9NYA1 5/20 0.49
OPRD1 P41143 3/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ADRA1D P25100 3/20 0.41
ADRA1A P35348 3/20 0.41
ADRA1B P35368 3/20 0.41
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 2/20 0.41
S1PR5 Q9H228 2/20 0.41
S1PR4 O95977 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
ESR1 P03372 2/20 0.40
ESRRG P62508 2/20 0.40

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
SCHEMBL3427378 1.00 SPHK2 (0.49) SPHK2SPHK1OPRD1POLBL3MBTL1
SCHEMBL3429334 1.00 SPHK2 (0.49) SPHK2SPHK1OPRD1POLBL3MBTL1
SCHEMBL4026383 0.94 SPHK2 (0.48) SPHK2SPHK1OPRD1POLBL3MBTL1
SCHEMBL4295783 0.94 SPHK2 (0.48) SPHK2SPHK1OPRD1POLBL3MBTL1
SCHEMBL3429567 0.87 SPHK2 (0.47) SPHK2SPHK1POLBL3MBTL1HRH3
SCHEMBL3427098 0.87 SPHK2 (0.47) SPHK2SPHK1POLBL3MBTL1HRH3
SCHEMBL3431942 0.87 SPHK2 (0.47) SPHK2SPHK1POLBL3MBTL1HRH3
SCHEMBL24272899 0.84 SPHK2 (0.47) SPHK2SPHK1OPRD1POLBL3MBTL1
SCHEMBL3425935 0.84 SPHK1 (0.47) SPHK2SPHK1OPRD1POLBL3MBTL1
SCHEMBL11929540 0.84 SPHK2 (0.61) SPHK2SPHK1OPRD1S1PR1S1PR3

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 SPHK2 743/4885SPHK1 802/4885OPRD1 4387/4885
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases AURKC, AURKA, AURKB SPHK2 815/4885SPHK1 776/4885OPRD1 4393/4885
US-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 SPHK2 2879/4885SPHK1 2758/4885OPRD1 3211/4885

“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.