SCHEMBL5455019

SCHEMBL5455019

COc1cc2cnc(Nc3cc(O)c(Cl)cc3F)nc2cc1OCC(O)CN1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.45
FLT1 P17948 6/20 0.44
KDR P35968 6/20 0.44
FGFR1 P11362 5/20 0.43
FLT4 P35916 3/20 0.43
FGFR2 P21802 2/20 0.43
FGFR4 P22455 1/20 0.43
FGFR3 P22607 1/20 0.43
AURKA O14965 1/20 0.43
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 2/20 0.39
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 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
SCHEMBL5444198 0.90 AURKA (0.43) EGFRFLT1KDRFGFR1FLT4
SCHEMBL5458861 0.88 FLT1 (0.41) EGFRFLT1KDRFGFR1FLT4
SCHEMBL5447714 0.87 FLT1 (0.41) EGFRFLT1KDRFGFR1FLT4
SCHEMBL14564691 0.82 KDR (0.66) EGFRFLT1KDRFGFR1FLT4
Hydrochloric Acid SCHEMBL7086434 0.79 EGFR (0.43) EGFRFLT1KDRFGFR1FLT4
SCHEMBL5457871 0.79 AURKA (0.36) EGFRFLT1KDRFGFR1FLT4
SCHEMBL6484403 0.76 AURKA (0.47) EGFRKDRFGFR2AURKACYP1A2
SCHEMBL5495618 0.75 RET (0.36) EGFRFLT1KDRFGFR1FLT4
SCHEMBL27593927 0.74 KDM4E (0.41) EGFRFGFR2AURKACYP1A2CYP2D6
SCHEMBL14564694 0.73 EGFR (0.57) EGFRFLT1KDRFGFR1FLT4

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 1629/4885FLT1 11/4885KDR 85/4885
US-20070066633-A1 Quinazoline compounds CCR7, CNR1, CBR3 EGFR 1429/4885FLT1 21/4885KDR 93/4885

“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.