SCHEMBL5045694

SCHEMBL5045694

O=C(Cc1cnc(Nc2ncnc3cc(OCCCN4CCN(CCOP(=O)(O)O)CC4)ccc23)s1)Nc1cccc(F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.62
EGFR P00533 5/20 0.62
AURKB Q96GD4 5/20 0.62
CSK P41240 2/20 0.62
IGF1R P08069 1/20 0.62
FGFR1 P11362 1/20 0.62
SRC P12931 1/20 0.62
FGFR2 P21802 1/20 0.62
FGFR4 P22455 1/20 0.62
FGFR3 P22607 1/20 0.62
CDK2 P24941 1/20 0.62
JAK3 P52333 1/20 0.62
PTK2 Q05397 1/20 0.62
AURKA O14965 15/20 0.58
PDGFRB P09619 3/20 0.55
PDGFRA P16234 3/20 0.55
RIPK2 O43353 2/20 0.55
LCK P06239 2/20 0.55
LYN P07948 2/20 0.55
RET P07949 2/20 0.55

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
SCHEMBL3891880 0.92 KDR (0.68) KDREGFRAURKBCSKIGF1R
SCHEMBL3885729 0.89 AURKB (0.79) KDREGFRAURKBCSKIGF1R
SCHEMBL5048903 0.88 AURKB (0.80) KDREGFRAURKBCSKIGF1R
SCHEMBL5049532 0.85 KDR (0.69) KDREGFRAURKBCSKIGF1R
SCHEMBL5049536 0.85 KDR (0.67) KDREGFRAURKBCSKIGF1R
SCHEMBL5045057 0.85 AURKA (0.66) KDREGFRAURKBCSKIGF1R
SCHEMBL3428895 0.84 PDGFRB (0.58) KDREGFRAURKBAURKAPDGFRB
SCHEMBL5045588 0.82 AURKB (0.83) KDREGFRAURKBCSKIGF1R
SCHEMBL3885282 0.82 AURKB (0.77) KDREGFRAURKBCSKIGF1R
SCHEMBL5046729 0.82 AURKB (0.74) KDREGFRAURKBCSKIGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407946-B2 Quinazoline compounds ASTRAZENECA AB (SE) 2008-08-05 US disclosed
US-20060058523-A1 Quinazoline compounds ASTRAZENECA AB (SE) 2006-03-16 US 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 (1 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-20060058523-A1 Quinazoline compounds NDUFS5, ABL1, NDUFS7 KDR 2844/4885EGFR 2379/4885AURKB 735/4885

“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.