Sugi Predict

Sugi Predict / Compounds / SCHEMBL3489829

SCHEMBL3489829

SCHEMBL3489829

CCN(CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)c2cc1F)CCOP(=O)(O)O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 19/20 0.83
▸ AURKB Q96GD4 11/20 0.83
▸ RIPK2 O43353 2/20 0.83
▸ EGFR P00533 2/20 0.83
▸ LCK P06239 2/20 0.83
▸ LYN P07948 2/20 0.83
▸ RET P07949 2/20 0.83
▸ HCK P08631 2/20 0.83
▸ PDGFRB P09619 2/20 0.83
▸ KIT P10721 2/20 0.83
▸ PDGFRA P16234 2/20 0.83
▸ CSNK2A2 P19784 2/20 0.83
▸ KDR P35968 2/20 0.83
▸ FLT3 P36888 2/20 0.83
▸ MST1R Q04912 2/20 0.83
▸ MAP2K5 Q13163 2/20 0.83
▸ AURKC Q9UQB9 2/20 0.83
▸ MAP4K5 Q9Y4K4 2/20 0.83
▸ FYN P06241 1/20 0.83
▸ RAB6A P20340 1/20 0.83

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
Phosphoric Acid SCHEMBL3489128 0.92 AURKA (0.71) AURKAAURKBRIPK2EGFRLCK
SCHEMBL3488734 0.92 AURKA (0.70) AURKAAURKBRIPK2EGFRLCK
SCHEMBL3489946 0.92 AURKA (0.88) AURKAAURKBRIPK2EGFRLCK
Barasertib SCHEMBL29368256 0.90 AURKA (1.00) AURKAAURKBRIPK2EGFRLCK
Barasertib SCHEMBL29720420 0.90 AURKA (1.00) AURKAAURKBRIPK2EGFRLCK
Barasertib SCHEMBL613582 0.90 AURKA (1.00) AURKAAURKBRIPK2EGFRLCK
SCHEMBL3490131 0.89 AURKA (0.96) AURKAAURKBRIPK2EGFRLCK
SCHEMBL4275319 0.88 AURKA (0.94) AURKAAURKBRIPK2EGFRLCK
SCHEMBL3490989 0.87 AURKA (0.74) AURKAAURKBRIPK2EGFRLCK
SCHEMBL3489203 0.87 AURKA (0.74) AURKAAURKBRIPK2EGFRLCK

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 13 patents. 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-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-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
EP-1847539-A1 Quinazoline derivatives AstraZeneca AB (SE) 2007-10-24 — — EP disclosed
EP-1578755-B1 PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2007-08-22 — — EP 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

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-20140162984-A1 PHOSPHONOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE PLK2, ABL1, CYP3A5 AURKA 220/4885AURKB 575/4885RIPK2 1771/4885
US-20150307534-A1 CHEMICAL COMPOUNDS ABL1, NQO1, NQO2 AURKA 492/4885AURKB 634/4885RIPK2 3390/4885
US-20100069412-A1 PHOSPHONOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE PLK2, ABL1, CYP3A5 AURKA 220/4885AURKB 575/4885RIPK2 1771/4885
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 AURKA 1/4885AURKB 3/4885RIPK2 723/4885

“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.