SCHEMBL5458850

SCHEMBL5458850

COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCC(O)CN1CCN(CCN2CCOCC2)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.78
KDR P35968 14/20 0.78
FGFR1 P11362 13/20 0.78
FLT1 P17948 13/20 0.78
FLT4 P35916 11/20 0.78
EPHB2 P29323 1/20 0.61
EPHB4 P54760 2/20 0.60
EPHA2 P29317 1/20 0.60
CIT O14578 1/20 0.59
GAK O14976 1/20 0.59
EPHB6 O15197 1/20 0.59
ABCC4 O15439 1/20 0.59
DAPK3 O43293 1/20 0.59
RIPK2 O43353 1/20 0.59
NR1I2 O75469 1/20 0.59
RPS6KA4 O75676 1/20 0.59
STK17B O94768 1/20 0.59
STK10 O94804 1/20 0.59
PRKD3 O94806 1/20 0.59
ABCB11 O95342 1/20 0.59

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 SCHEMBL5453620 0.99 EGFR (0.76) EGFRKDRFGFR1FLT1FLT4
SCHEMBL5756707 0.98 EGFR (0.78) EGFRKDRFGFR1FLT1FLT4
SCHEMBL14564688 0.98 EGFR (0.78) EGFRKDRFGFR1FLT1FLT4
SCHEMBL6959851 0.93 KDR (0.68) EGFRKDRFGFR1FLT1FLT4
SCHEMBL5754345 0.92 FLT1 (0.69) EGFRKDRFGFR1FLT1FLT4
SCHEMBL5757192 0.92 KDR (0.77) EGFRKDRFGFR1FLT1FLT4
SCHEMBL14564687 0.92 KDR (0.77) EGFRKDRFGFR1FLT1FLT4
SCHEMBL5446470 0.92 EGFR (0.69) EGFRKDRFGFR1FLT1FLT4
Hydrochloric Acid SCHEMBL5456015 0.91 EGFR (0.68) EGFRKDRFGFR1FLT1FLT4
SCHEMBL5460598 0.91 KDR (0.70) 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 9 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
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.