SCHEMBL5456479

SCHEMBL5456479

COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC(O)CN(C)CC(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.69
EGFR P00533 13/20 0.69
RET P07949 2/20 0.69
KIF5B P33176 2/20 0.69
FLT1 P17948 12/20 0.60
FGFR1 P11362 11/20 0.60
FLT4 P35916 10/20 0.60
PDGFRB P09619 3/20 0.60
EPHA2 P29317 3/20 0.60
TEK Q02763 2/20 0.60
FGFR2 P21802 2/20 0.60
FGFR4 P22455 2/20 0.60
FGFR3 P22607 2/20 0.60
EPHB2 P29323 2/20 0.60
EPHB4 P54760 2/20 0.60
BMPR1B O00238 1/20 0.60
PLK4 O00444 1/20 0.60
CIT O14578 1/20 0.60
GAK O14976 1/20 0.60
EPHB6 O15197 1/20 0.60

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
Hydrochloric Acid SCHEMBL5443230 0.99 KDR (0.68) KDREGFRRETKIF5BFLT1
SCHEMBL5448866 0.92 KDR (0.73) KDREGFRRETKIF5BFLT1
SCHEMBL5455608 0.92 KDR (0.67) KDREGFRRETKIF5BFLT1
SCHEMBL5757222 0.91 KDR (0.69) KDREGFRRETKIF5BFLT1
Hydrochloric Acid SCHEMBL5453290 0.91 KDR (0.71) KDREGFRRETKIF5BFLT1
Hydrochloric Acid SCHEMBL5457982 0.91 KDR (0.66) KDREGFRRETKIF5BFLT1
Hydrochloric Acid SCHEMBL5453272 0.91 KDR (0.68) KDREGFRRETKIF5BFLT1
SCHEMBL5445564 0.91 FLT1 (0.69) KDREGFRFLT1FGFR1FLT4
Hydrochloric Acid SCHEMBL5450314 0.90 FLT1 (0.68) KDREGFRFLT1FGFR1FLT4
SCHEMBL5451347 0.90 KDR (0.69) KDREGFRRETKIF5BFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7160889-B2 Quinazoline compounds ASTRAZENECA AB (SE) 2007-01-09 US claimed
EP-1274692-B1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2006-08-02 EP claimed
US-20030191308-A1 Quinazoline compounds ASTRAZENECA AB (SE) 2003-10-09 US claimed
EP-1274692-A1 QUINAZOLINE COMPOUNDS AstraZeneca AB (SE) 2003-01-15 EP claimed
WO-2001077085-A1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2001-10-18 WO claimed
US-20070066633-A1 Quinazoline compounds ASTRAZENECA AB 2007-03-22 US disclosed
US-7160889-B2 Quinazoline compounds ASTRAZENECA AB (SE) 2007-01-09 US disclosed
EP-1274692-B1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2006-08-02 EP disclosed
US-20030191308-A1 Quinazoline compounds ASTRAZENECA AB (SE) 2003-10-09 US disclosed
EP-1274692-A1 QUINAZOLINE COMPOUNDS AstraZeneca AB (SE) 2003-01-15 EP 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-20030191308-A1 Quinazoline compounds CNR1, CBR1, CCR7 KDR 85/4885EGFR 1629/4885RET 3257/4885
US-20070066633-A1 Quinazoline compounds CCR7, CNR1, CBR3 KDR 93/4885EGFR 1429/4885RET 1645/4885

“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.