SCHEMBL4381607

SCHEMBL4381607

CN1CCN(CCOCCC[O])CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
PAOX Q6QHF9 1/20 0.43
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
HRH3 Q9Y5N1 3/20 0.38
RAB9A P51151 2/20 0.38
DRD3 P35462 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL1097990 0.88 ALDH1A1 (0.47) ALDH1A1KDM4EPAOXUSP2HPGD
SCHEMBL2512123 0.85 ALDH1A1 (0.55) ALDH1A1KDM4EPAOXUSP2HPGD
SCHEMBL8865 0.83 PAOX (0.52) ALDH1A1PAOXUSP2HPGDHRH3
SCHEMBL23471288 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EPAOXUSP2HPGD
SCHEMBL21907048 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EPAOXUSP2HPGD
SCHEMBL20325468 0.82 ALDH1A1 (0.49) ALDH1A1KDM4EPAOXUSP2HPGD
SCHEMBL4902016 0.82 GNAI3 (0.47) ALDH1A1KDM4EUSP2HPGDHRH3
SCHEMBL9367 0.81 PAOX (0.55) ALDH1A1PAOXUSP2HPGDHRH3
SCHEMBL23471047 0.80 GNAI3 (0.50) ALDH1A1KDM4EUSP2HPGDRAB9A
SCHEMBL20234243 0.80 ALDH1A1 (0.45) ALDH1A1KDM4EPAOXUSP2HPGD

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492560-B2 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2013-07-23 US disclosed
US-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors STOKES ELAINE S E (GB) 2012-08-02 US disclosed
EP-2050744-A1 Quinazoline derivatives as angiogenesis inhibitors AstraZeneca AB (SE) 2009-04-22 EP disclosed
US-20080312273-A1 Quinoline Derivatives Having Vegf Inhibiting Activity HENNEQUIN LAURENT FRANCOIS ANDRE 2008-12-18 US disclosed
US-7371765-B2 Quinoline derivatives having VEGF inhibiting activity ASTRAZENECA AB (SE) 2008-05-13 US disclosed
US-7074800-B1 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2006-07-11 US disclosed
US-20060148819-A1 Chemical compounds HENNEQUIN LAURENT F A 2006-07-06 US disclosed
US-20060004017-A1 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB 2006-01-05 US disclosed
EP-1553097-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AND INTERMEDIATES THEREFORE AstraZeneca AB (SE) 2005-07-13 EP disclosed
EP-1154774-B1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-06-22 EP disclosed
US-6887874-B2 Cinnoline compounds ASTRAZENECA AB (SE) 2005-05-03 US disclosed
US-20030212055-A1 Cinnoline compounds ASTRAZENECA AB (SE) 2003-11-13 US disclosed
US-20030207878-A1 Chemical compounds ASTRAZENECA AB (SE) 2003-11-06 US disclosed
US-20030199491-A1 Quinoline derivatives having vegf inhibiting activity ASTRAZENECA AB (SE) 2003-10-23 US disclosed
EP-1309587-A1 CINNOLINE COMPOUNDS AstraZeneca AB (SE) 2003-05-14 EP disclosed
WO-2002016348-A1 ANTIANGIOGENIC BICYCLIC DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 WO disclosed
WO-2002012228-A1 CINNOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-02-14 WO disclosed
EP-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 EP disclosed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 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 (7 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-20080312273-A1 Quinoline Derivatives Having Vegf Inhibiting Activity VEGFA, FLT1, FLT4 ALDH1A1 1187/4885KDM4E 1951/4885PAOX 4423/4885
US-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors VEGFA, FLT1, KDR ALDH1A1 822/4885KDM4E 2055/4885PAOX 4236/4885
US-20030199491-A1 Quinoline derivatives having vegf inhibiting activity VEGFA, FLT1, FLT4 ALDH1A1 2513/4885KDM4E 2595/4885PAOX 4194/4885
US-20060148819-A1 Chemical compounds VEGFA, NOS3, FLT4 ALDH1A1 1051/4885KDM4E 3568/4885PAOX 3172/4885
US-20030207878-A1 Chemical compounds CYP3A7, HTR3C, CNR1 ALDH1A1 1354/4885KDM4E 3367/4885PAOX 2242/4885
US-20030212055-A1 Cinnoline compounds VEGFA, PGF, CCR7 ALDH1A1 335/4885KDM4E 2566/4885PAOX 3997/4885
US-20060004017-A1 Quinazoline derivatives as angiogenesis inhibitors FLT4, NOS3, FLT1 ALDH1A1 3323/4885KDM4E 1506/4885PAOX 3238/4885

“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.