SCHEMBL3489299

SCHEMBL3489299

CCN(C)CCOP(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MVD P53602 1/20 0.47
LPAR3 Q9UBY5 8/20 0.47
LPAR2 Q9HBW0 6/20 0.47
LPAR1 Q92633 4/20 0.47
GGPS1 O95749 2/20 0.38
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
FDPS P14324 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 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
SCHEMBL15780663 0.88 LPAR3 (0.53) MVDLPAR3LPAR2LPAR1GGPS1
SCHEMBL15780662 0.85 LPAR3 (0.50) MVDLPAR3LPAR2LPAR1GGPS1
SCHEMBL13531689 0.83 MVD (0.47) MVDLPAR3LPAR2LPAR1GGPS1
SCHEMBL14365954 0.82 MVD (0.47) MVDLPAR3LPAR1GGPS1S1PR2
SCHEMBL15586931 0.82 MVD (0.47) MVDLPAR3LPAR2LPAR1GGPS1
SCHEMBL13521069 0.82 MVD (0.47) MVDLPAR3LPAR2LPAR1GGPS1
SCHEMBL15780701 0.82 LPAR3 (0.57) MVDLPAR3LPAR2LPAR1GGPS1
SCHEMBL16364649 0.81 MVD (0.46) MVDLPAR3LPAR2LPAR1GGPS1
SCHEMBL21409643 0.80 LPAR3 (0.48) MVDLPAR3LPAR2LPAR1
SCHEMBL1642999 0.79 LPAR3 (0.46) MVDLPAR3LPAR2LPAR1GGPS1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140162984-A1 PHOSPHONOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2014-06-12 US claimed
EP-1578755-B1 PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2007-08-22 EP claimed
US-20060116357-A1 Aurora kinases inhibitors; antiproliferative agents; specially for solid and haematological tumors; 2-[[3-({4-[(5-{2-[(3-fluorophenyl)amino]-2-oxoethyl}-1H-pyrazol-3-yl)amino]-quinazolin-7-yl}oxy)propyl](ethyl)amino]ethyl dihydrogen phosphate ASTRAZENECA AB (SE) 2006-06-01 US claimed
US-20060058523-A1 Quinazoline compounds ASTRAZENECA AB (SE) 2006-03-16 US claimed
EP-1578755-A1 PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AstraZeneca AB (SE) 2005-09-28 EP claimed
WO-2004058781-A1 PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2004-07-15 WO claimed
WO-2021260582-A1 COMBINATION OF ANTIBODY-DRUG CONJUGATE AND AURORA B INHIBITOR ASTRAZENECA UK LIMITED (GB) 2021-12-30 WO disclosed
US-20170128572-A1 LONG-LIVED GADOLINIUM BASED TUMOR TARGETED IMAGING AND THERAPY AGENTS WISCONSIN ALUMNI RESEARCH FOUNDATION 2017-05-11 US disclosed
US-9567358-B2 Methods of treatment using N-(3-fluorophenyl)-2-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}-quinazolin-4-yl)amino]-1H-pyrazol-5-yl}acetamide ASTRAZENECA AB (SE) 2017-02-14 US disclosed
US-9567358-B2 Methods of treatment using N-(3-fluorophenyl)-2-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}-quinazolin-4-yl)amino]-1H-pyrazol-5-yl}acetamide ASTRAZENECA AB (SE) 2017-02-14 US disclosed
WO-2016068220-A1 METHOD FOR PRODUCING EUSHEARILIDES 学校法人東京理科大学 2016-05-06 WO disclosed
US-20150307534-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2015-10-29 US disclosed
US-9018191-B2 Phosphonoxy quinazoline derivatives and their pharmaceutical use ASTRAZENECA AB (SE) 2015-04-28 US disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 US disclosed
US-20060116357-A1 Aurora kinases inhibitors; antiproliferative agents; specially for solid and haematological tumors; 2-[[3-({4-[(5-{2-[(3-fluorophenyl)amino]-2-oxoethyl}-1H-pyrazol-3-yl)amino]-quinazolin-7-yl}oxy)propyl](ethyl)amino]ethyl dihydrogen phosphate ASTRAZENECA AB (SE) 2006-06-01 US disclosed
US-20060058523-A1 Quinazoline compounds ASTRAZENECA AB (SE) 2006-03-16 US disclosed
EP-1578755-A1 PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AstraZeneca AB (SE) 2005-09-28 EP disclosed
EP-1575946-A1 QUINAZOLINE COMPOUNDS AstraZeneca AB (SE) 2005-09-21 EP disclosed
WO-2004058752-A1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2004-07-15 WO disclosed
WO-2004058781-A1 PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2004-07-15 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 (6 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-20060058523-A1 Quinazoline compounds NDUFS5, ABL1, NDUFS7 MVD 4235/4885LPAR3 4630/4885LPAR2 4784/4885
US-20140162984-A1 PHOSPHONOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE PLK2, ABL1, CYP3A5 MVD 1497/4885LPAR3 3136/4885LPAR2 3649/4885
US-20170128572-A1 LONG-LIVED GADOLINIUM BASED TUMOR TARGETED IMAGING AND THERAPY AGENTS H1-3, H1-2, H1-4 MVD 4404/4885LPAR3 184/4885LPAR2 517/4885
US-20150307534-A1 CHEMICAL COMPOUNDS ABL1, NQO1, NQO2 MVD 3344/4885LPAR3 4605/4885LPAR2 4678/4885
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof TNNI3, IDH2, GLS MVD 1396/4885LPAR3 2453/4885LPAR2 2408/4885
US-20060116357-A1 Aurora kinases inhibitors; antiproliferative agents; specially for solid and haematological tumors; 2-[[3-({4-[(5-{2-[(3-fluorophenyl)amino]-2-oxoethyl}-1H-pyrazol-3-yl)amino]-quinazolin-7-yl}oxy)propyl](ethyl)amino]ethyl dihydrogen phosphate AURKA, AURKC, AURKB MVD 1688/4885LPAR3 3349/4885LPAR2 3471/4885

“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.