SCHEMBL6405839

SCHEMBL6405839

COc1cc(OC2CCN(CC(N)=O)CC2)c2c(N(F)c3cccc(Cl)c3)ncnc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.49
ERBB2 P04626 10/20 0.48
SRC P12931 4/20 0.41
GAK O14976 1/20 0.40
RIPK2 O43353 1/20 0.40
LYN P07948 1/20 0.40
RET P07949 1/20 0.40
EPHA1 P21709 1/20 0.40
ERBB3 P21860 1/20 0.40
EPHA2 P29317 1/20 0.40
EPHB2 P29323 1/20 0.40
EPHA5 P54756 1/20 0.40
EPHB4 P54760 1/20 0.40
EPHA4 P54764 1/20 0.40
ADK P55263 1/20 0.40
PTK6 Q13882 1/20 0.40
RIPK3 Q9Y572 1/20 0.40
ABL1 P00519 1/20 0.39
ABL2 P42684 1/20 0.39
KDR P35968 2/20 0.39

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
SCHEMBL4033942 0.82 EGFR (0.56) EGFRSRCKDR
SCHEMBL6429537 0.80 EGFR (0.47) EGFRERBB2SRCKDR
SCHEMBL6402918 0.79 EGFR (0.43) EGFRERBB2SRCKDR
SCHEMBL6403835 0.78 SRC (0.54) EGFRERBB2SRCKDR
SCHEMBL4034575 0.76 EGFR (0.78) EGFRERBB2SRC
Trifluoroacetic Acid SCHEMBL6402916 0.75 EGFR (0.41) EGFRERBB2SRCKDR
SCHEMBL6407667 0.74 EGFR (0.42) EGFRSRCRETABL1KDR
SCHEMBL6407787 0.73 EGFR (0.47) EGFRSRCRETERBB3KDR
SCHEMBL3521647 0.72 EGFR (0.35) EGFREPHA2
SCHEMBL6402072 0.71 EGFR (0.45) EGFRSRCKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US claimed

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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 EGFR 4/4885ERBB2 1/4885SRC 111/4885

“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.