SCHEMBL4387079

SCHEMBL4387079

COc1cc2c(Cl)ncnc2cc1OCC(CN1CCCC1)OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.50
AURKA O14965 2/20 0.45
ABCB1 P08183 2/20 0.44
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
KDR P35968 8/20 0.42
EPHA2 P29317 2/20 0.42
EPHB4 P54760 2/20 0.42
EGFR P00533 6/20 0.41
FLT1 P17948 2/20 0.40
FGFR1 P11362 1/20 0.40
FLT4 P35916 1/20 0.40

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
SCHEMBL4387080 1.00 ENPP1 (0.50) ENPP1AURKAABCB1ACHEBACE1
SCHEMBL5219211 0.99 ENPP1 (0.49) ENPP1AURKAABCB1ACHEBACE1
SCHEMBL14564685 0.93 ENPP1 (0.48) ENPP1ACHEBACE1KDREGFR
SCHEMBL5464392 0.93 ENPP1 (0.48) ENPP1ACHEBACE1KDREGFR
SCHEMBL5215910 0.92 EGFR (0.51) ENPP1KDREPHA2EPHB4EGFR
SCHEMBL5221951 0.89 ENPP1 (0.45) ENPP1AURKAABCB1ACHEBACE1
SCHEMBL7572093 0.83 EGFR (0.58) AURKAKDREPHA2EPHB4EGFR
SCHEMBL4371022 0.82 ABCB1 (0.43) AURKAABCB1
SCHEMBL4371030 0.82 ABCB1 (0.43) AURKAABCB1
SCHEMBL14564692 0.81 KDR (0.61) KDREPHA2EGFRFLT1FGFR1

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 37 patents — showing the first 20. 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-20070066633-A1 Quinazoline compounds ASTRAZENECA AB 2007-03-22 US disclosed
US-20070066633-A1 Quinazoline compounds ASTRAZENECA AB 2007-03-22 US disclosed
US-20070066633-A1 Quinazoline compounds ASTRAZENECA AB 2007-03-22 US disclosed
EP-1453492-B1 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-01-24 EP disclosed
US-7160889-B2 Quinazoline compounds ASTRAZENECA AB (SE) 2007-01-09 US disclosed
US-7160889-B2 Quinazoline compounds ASTRAZENECA AB (SE) 2007-01-09 US disclosed
US-7160889-B2 Quinazoline compounds ASTRAZENECA AB (SE) 2007-01-09 US disclosed
EP-1313727-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-05-28 EP disclosed
WO-2002030924-A9 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2003-05-22 WO disclosed
EP-1274692-A1 QUINAZOLINE COMPOUNDS AstraZeneca AB (SE) 2003-01-15 EP disclosed
WO-2002092578-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 WO disclosed
WO-2002092577-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 WO disclosed
WO-2002034744-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-05-02 WO disclosed
WO-2002030924-A1 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2002-04-18 WO disclosed
WO-2002030926-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-04-18 WO disclosed
WO-2002016352-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 WO disclosed
WO-2001077085-A1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2001-10-18 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 (2 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-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors VEGFA, FLT1, KDR ENPP1 2575/4885AURKA 1108/4885ABCB1 136/4885
US-20070066633-A1 Quinazoline compounds CCR7, CNR1, CBR3 ENPP1 4213/4885AURKA 2327/4885ABCB1 478/4885

“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.