SCHEMBL3431003

SCHEMBL3431003

COCCN(CCCO)CCOP(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 8/20 0.40
LPAR2 Q9HBW0 6/20 0.40
LPAR1 Q92633 4/20 0.40
MVD P53602 1/20 0.32
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CSNK2A3 Q8NEV1 1/20 0.31

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
SCHEMBL3427350 0.89 LPAR3 (0.38) LPAR3LPAR2LPAR1MVD
SCHEMBL13531692 0.89 LPAR3 (0.43) LPAR3LPAR2LPAR1MVDCSNK2A2
SCHEMBL3429342 0.88 LPAR3 (0.47) LPAR3LPAR2LPAR1
SCHEMBL3427762 0.86 LPAR3 (0.44) LPAR3LPAR2LPAR1MVD
SCHEMBL3431000 0.86 LPAR3 (0.40) LPAR3LPAR2LPAR1MVDCSNK2A2
SCHEMBL13400455 0.86 LPAR3 (0.53) LPAR3LPAR2LPAR1
SCHEMBL8959 0.84 PIK3CD (0.33)
SCHEMBL14278739 0.81 LPAR3 (0.37) LPAR3LPAR2LPAR1
SCHEMBL3430184 0.81 LPAR3 (0.52) LPAR3LPAR2LPAR1
SCHEMBL3429386 0.81 PIK3CD (0.31)

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 9 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-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 EP 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 LPAR3 4112/4885LPAR2 4087/4885LPAR1 4297/4885
US-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 LPAR3 3825/4885LPAR2 4113/4885LPAR1 3837/4885

“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.