SCHEMBL5457871

SCHEMBL5457871

COc1cc2cnc(Nc3cc(O)c(Br)cc3F)nc2cc1OCC(CN1CCCC1)OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.36
ABCB1 P08183 2/20 0.36
LRRK2 Q5S007 5/20 0.34
ALK Q9UM73 6/20 0.33
EGFR P00533 1/20 0.33
FGFR1 P11362 1/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
MAPK1 P28482 1/20 0.33
RET P07949 2/20 0.33
CSF1R P07333 2/20 0.32

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
SCHEMBL5458861 0.91 FLT1 (0.41) AURKAABCB1LRRK2ALKEGFR
SCHEMBL5447714 0.91 FLT1 (0.41) AURKAABCB1LRRK2ALKEGFR
SCHEMBL5444198 0.88 AURKA (0.43) AURKAEGFRFGFR1FLT1FLT4
SCHEMBL14564695 0.84 KDR (0.52) AURKAEGFRFGFR1FLT1FLT4
SCHEMBL5495618 0.79 RET (0.36) ALKEGFRFGFR1FLT1FLT4
SCHEMBL5455019 0.79 EGFR (0.45) AURKAEGFRFGFR1FLT1FLT4
SCHEMBL14564692 0.75 KDR (0.61) EGFRFGFR1FLT1FLT4KDR
SCHEMBL14564693 0.74 KDR (0.60) EGFRFGFR1FLT1FLT4KDR
SCHEMBL27593927 0.73 KDM4E (0.41) AURKAABCB1EGFR
SCHEMBL14564694 0.71 EGFR (0.57) AURKAEGFRFGFR1FLT1FLT4

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 AURKA 3083/4885ABCB1 429/4885LRRK2 4779/4885
US-20070066633-A1 Quinazoline compounds CCR7, CNR1, CBR3 AURKA 2327/4885ABCB1 478/4885LRRK2 4454/4885

“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.