SCHEMBL5460591

SCHEMBL5460591

COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC(O)CN1CCN(CCO)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.67
KDR P35968 16/20 0.67
FGFR1 P11362 12/20 0.67
FLT1 P17948 12/20 0.67
FLT4 P35916 11/20 0.67
RET P07949 2/20 0.62
KIF5B P33176 2/20 0.62
PDGFRB P09619 3/20 0.61
TEK Q02763 2/20 0.61
EPHA2 P29317 2/20 0.61
EPHB4 P54760 2/20 0.61
FGFR2 P21802 2/20 0.61
FGFR4 P22455 2/20 0.61
FGFR3 P22607 2/20 0.61
BMPR1B O00238 1/20 0.61
PLK4 O00444 1/20 0.61
CIT O14578 1/20 0.61
GAK O14976 1/20 0.61
EPHB6 O15197 1/20 0.61
RIPK2 O43353 1/20 0.61

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 SCHEMBL5456501 0.99 EGFR (0.69) EGFRKDRFGFR1FLT1FLT4
SCHEMBL5443380 0.95 EGFR (0.70) EGFRKDRFGFR1FLT1FLT4
Hydrochloric Acid SCHEMBL5453213 0.95 EGFR (0.71) EGFRKDRFGFR1FLT1FLT4
SCHEMBL5755703 0.94 EGFR (0.74) EGFRKDRFGFR1FLT1FLT4
SCHEMBL14564684 0.94 EGFR (0.74) EGFRKDRFGFR1FLT1FLT4
SCHEMBL5446470 0.92 EGFR (0.69) EGFRKDRFGFR1FLT1FLT4
SCHEMBL5453241 0.92 KDR (0.69) EGFRKDRFGFR1FLT1FLT4
Hydrochloric Acid SCHEMBL5456015 0.92 EGFR (0.68) EGFRKDRFGFR1FLT1FLT4
SCHEMBL5754345 0.92 FLT1 (0.69) EGFRKDRFGFR1FLT1FLT4
SCHEMBL5452360 0.91 EGFR (0.68) EGFRKDRFGFR1FLT1FLT4

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 EGFR 1629/4885KDR 85/4885FGFR1 911/4885
US-20070066633-A1 Quinazoline compounds CCR7, CNR1, CBR3 EGFR 1429/4885KDR 93/4885FGFR1 712/4885

“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.