SCHEMBL3429508

SCHEMBL3429508

O=P(O)(O)OCCCNCCCO

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SAT1 P21673 1/20 0.50
LPAR3 Q9UBY5 8/20 0.45
LPAR2 Q9HBW0 6/20 0.45
LPAR1 Q92633 4/20 0.45
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CSNK2A3 Q8NEV1 1/20 0.34
FDPS P14324 1/20 0.34
TPI1 P60174 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33

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
SCHEMBL3429975 0.92 SAT1 (0.42) SAT1LPAR3LPAR2LPAR1TPI1
SCHEMBL3429869 0.85 SAT1 (0.38) SAT1LPAR3LPAR2LPAR1S1PR2
SCHEMBL3429502 0.83 SAT1 (0.50) SAT1LPAR3LPAR2LPAR1CSNK2A2
SCHEMBL29581 0.82
SCHEMBL13400487 0.82 LPAR3 (0.64) SAT1LPAR3LPAR2LPAR1S1PR2
SCHEMBL29859967 0.82 SAT1 (0.49) SAT1LPAR3LPAR2LPAR1CSNK2A2
SCHEMBL17247996 0.80 SAT1 (0.47) SAT1LPAR3LPAR2LPAR1CSNK2A2
SCHEMBL19239947 0.80 SAT1 (0.51) SAT1LPAR3LPAR2LPAR1CSNK2A2
SCHEMBL5551702 0.80 CA12 (0.48) SAT1LPAR3LPAR2LPAR1
SCHEMBL28691 0.80 LPAR3 (0.60) LPAR3LPAR2LPAR1CSNK2A2CSNK2B

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 6 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
EP-1613619-A1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER AstraZeneca AB (SE) 2006-01-11 EP 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 (1 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-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 SAT1 2675/4885LPAR3 3825/4885LPAR2 4113/4885

“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.