SCHEMBL3429341

SCHEMBL3429341

C[C](C)CCOP(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 8/20 0.50
LPAR2 Q9HBW0 6/20 0.50
LPAR1 Q92633 4/20 0.50
BTN3A1 O00481 2/20 0.48
TPI1 P60174 2/20 0.36
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34

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
SCHEMBL1198793 0.84 LPAR3 (0.46) LPAR3LPAR2LPAR1BTN3A1TPI1
Isopentenyl Phosphate SCHEMBL545278 0.82 BTN3A1 (0.70) LPAR3LPAR2LPAR1BTN3A1TPI1
Isopentenyl Phosphate SCHEMBL28018171 0.80 BTN3A1 (0.68) LPAR3LPAR2LPAR1BTN3A1TPI1
SCHEMBL811703 0.78 LPAR3 (0.55) LPAR3LPAR2LPAR1TPI1PGK1
SCHEMBL1926070 0.77 BTN3A1 (0.48) LPAR3LPAR2LPAR1BTN3A1TPI1
SCHEMBL2710223 0.76 LPAR3 (0.43) LPAR3LPAR2LPAR1BTN3A1TPI1
SCHEMBL6514945 0.76 LPAR3 (0.52) LPAR3LPAR2LPAR1TPI1PGK1
SCHEMBL16792076 0.75 LPAR3 (0.54) LPAR3LPAR2LPAR1BTN3A1
SCHEMBL1514200 0.74
Propyl Phosphate SCHEMBL28303359 0.74 LPAR3 (0.65) LPAR3LPAR2LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578755-B1 PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2007-08-22 EP claimed
WO-2021260582-A1 COMBINATION OF ANTIBODY-DRUG CONJUGATE AND AURORA B INHIBITOR ASTRAZENECA UK LIMITED (GB) 2021-12-30 WO 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-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-20140162984-A1 PHOSPHONOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2014-06-12 US disclosed
US-8268841-B2 Phosphonoxy quinazoline derivatives and their pharmaceutical use ASTRAZENECA AB (SE) 2012-09-18 US disclosed
US-7691867-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-04-06 US disclosed
US-20100069412-A1 PHOSPHONOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2010-03-18 US disclosed
US-7528121-B2 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) 2009-05-05 US disclosed
US-20060058523-A1 Quinazoline compounds ASTRAZENECA AB (SE) 2006-03-16 US disclosed
EP-1613619-A1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER AstraZeneca AB (SE) 2006-01-11 EP 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
EP-1575966-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2005-09-21 EP disclosed
WO-2004105764-A1 (3- ((QUINAZOLIN-4-YL) AMINO )-1H-PYRAZOL-1-YL) ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS AURORA KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ASTRAZENECA AB (SE) 2004-12-09 WO disclosed
WO-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 WO 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
WO-2004058782-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES 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 (4 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 LPAR3 4630/4885LPAR2 4784/4885LPAR1 4763/4885
US-20140162984-A1 PHOSPHONOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE PLK2, ABL1, CYP3A5 LPAR3 3136/4885LPAR2 3649/4885LPAR1 3601/4885
US-20150307534-A1 CHEMICAL COMPOUNDS ABL1, NQO1, NQO2 LPAR3 4605/4885LPAR2 4678/4885LPAR1 4714/4885
US-20100069412-A1 PHOSPHONOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE PLK2, ABL1, CYP3A5 LPAR3 3136/4885LPAR2 3649/4885LPAR1 3601/4885

“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.