SCHEMBL4033516

SCHEMBL4033516

CN(C)[C@H]1CCN(c2cc(OC3CCOCC3)c3c(=O)[nH]cnc3c2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
KDR P35968 1/20 0.38
IP6K1 Q92551 1/20 0.36
IP6K3 Q96PC2 1/20 0.36
IP6K2 Q9UHH9 1/20 0.36
KCNH2 Q12809 1/20 0.35
LRRK2 Q5S007 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
MELK Q14680 1/20 0.33
FLT3 P36888 1/20 0.33
WDR5 P61964 3/20 0.33
MAPK7 Q13164 1/20 0.33
HTR1B P28222 1/20 0.33
SCD O00767 1/20 0.33
MCHR1 Q99705 1/20 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
SCHEMBL4032232 0.90 SYK (0.40) SYKPDGFRBFGFR1KDRIP6K1
SCHEMBL18128959 0.84 SYK (0.42) SYKPIK3CDPIK3CAPIK3CBKDR
SCHEMBL6626799 0.82 SYK (0.36) SYKPIK3CDPIK3CAPIK3CBLRRK2
SCHEMBL18128950 0.82 PIK3CD (0.39) SYKPIK3CDPIK3CAPIK3CBPDGFRB
SCHEMBL4034080 0.80 IP6K1 (0.40) SYKPIK3CDPIK3CAPIK3CBPDGFRB
SCHEMBL16747780 0.79 PIK3CD (0.39) SYKPIK3CDPIK3CAPIK3CBPDGFRB
SCHEMBL21187302 0.79 PIK3CA (0.49) SYKPIK3CDPIK3CAPIK3CBIP6K1
SCHEMBL21177857 0.79 PIK3CA (0.49) SYKPIK3CDPIK3CAPIK3CBIP6K1
SCHEMBL3193077 0.77 LRRK2 (0.41) SYKPIK3CDPIK3CAPIK3CBKDR
SCHEMBL1015994 0.75 EGFR (0.48) KDRLRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444211-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 SYK 318/4885PIK3CD 168/4885PIK3CA 92/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 SYK 146/4885PIK3CD 213/4885PIK3CA 196/4885

“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.