SCHEMBL3488684

SCHEMBL3488684

CCOC(=O)CNC(=O)C1CCC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.55
HSD17B10 Q99714 2/20 0.55
KDM4E B2RXH2 1/20 0.55
TSHR P16473 1/20 0.55
ALDH1A1 P00352 3/20 0.49
POLB P06746 2/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LTA4H P09960 1/20 0.48
EPHX2 P34913 1/20 0.47
CHRM1 P11229 3/20 0.45
NAAA Q02083 1/20 0.44
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL16825248 0.93 GAA (0.51) GAAHSD17B10KDM4ETSHRALDH1A1
SCHEMBL18951305 0.88 GAA (0.49) GAAHSD17B10KDM4ETSHRALDH1A1
SCHEMBL23820743 0.85 GAA (0.46) GAAHSD17B10KDM4ETSHRALDH1A1
SCHEMBL7379196 0.85 GNAI3 (0.51) GAAHSD17B10KDM4ETSHRALDH1A1
SCHEMBL9961298 0.83 HSD17B10 (0.53) HSD17B10KDM4ETSHRALDH1A1HTT
SCHEMBL23934142 0.82 GAA (0.44) GAAHSD17B10KDM4ETSHRALDH1A1
SCHEMBL13006886 0.81 GAA (0.49) GAAHSD17B10KDM4ETSHRALDH1A1
SCHEMBL14534815 0.79 HSD17B10 (0.58) HSD17B10KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL28367593 0.78 EPHX2 (0.59) HSD17B10KDM4EALDH1A1POLBHTT
SCHEMBL28095544 0.78 EPHX2 (0.59) HSD17B10KDM4EALDH1A1POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101074227-B Phosphine acyloxy quinazoline derivatives and their medicine uses ASTRAZENECA AB 2010-09-29 CN disclosed
US-20100069412-A1 PHOSPHONOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2010-03-18 US disclosed
EP-1463506-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases ASTRAZENECA AB (SE) 2009-08-27 US disclosed
CN-100491372-C Substituted quinazoline derivatives as inhibitors of aurora kinase ASTRAZENECA AB (SE) 2009-05-27 CN 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
CN-1764668-A Phosphonoxyquinazoline derivatives and pharmaceutical use thereof ASTRAZENECA AB (SE) 2006-04-26 CN disclosed
EP-1578755-A1 PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AstraZeneca AB (SE) 2005-09-28 EP disclosed
CN-1620296-A Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2005-05-25 CN disclosed
US-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2005-03-31 US disclosed
EP-1463506-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES Astrazeneca AB (SE) 2004-10-06 EP disclosed
WO-2004058781-A1 PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2004-07-15 WO disclosed
WO-2003055491-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2003-07-10 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-20140162984-A1 PHOSPHONOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE PLK2, ABL1, CYP3A5 GAA 1023/4885HSD17B10 3931/4885KDM4E 3193/4885
US-20150307534-A1 CHEMICAL COMPOUNDS ABL1, NQO1, NQO2 GAA 738/4885HSD17B10 3364/4885KDM4E 2625/4885
US-20100069412-A1 PHOSPHONOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE PLK2, ABL1, CYP3A5 GAA 1023/4885HSD17B10 3931/4885KDM4E 3193/4885
US-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases AURKC, AURKA, AURKB GAA 1652/4885HSD17B10 3215/4885KDM4E 1346/4885
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 GAA 2652/4885HSD17B10 3905/4885KDM4E 445/4885
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases AURKC, AURKA, AURKB GAA 2586/4885HSD17B10 3558/4885KDM4E 1249/4885

“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.