SCHEMBL4207635

SCHEMBL4207635

COc1cc(OC2CCN(C)CC2)c2c(Nc3ccc(OCc4ccccc4)c(C)c3)ncnc2c1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.65
SRC P12931 4/20 0.59
KDR P35968 3/20 0.57
ERBB2 P04626 8/20 0.57
KCNH2 Q12809 1/20 0.53

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
SCHEMBL4034112 0.92 EGFR (0.69) EGFRSRCKDRERBB2KCNH2
SCHEMBL4207674 0.91 EGFR (0.74) EGFRSRCKDRERBB2KCNH2
SCHEMBL4036185 0.90 EGFR (0.67) EGFRSRCKDRERBB2KCNH2
SCHEMBL4038969 0.89 EGFR (0.69) EGFRSRCKDRERBB2KCNH2
SCHEMBL4028325 0.88 ERBB2 (0.70) EGFRSRCERBB2KCNH2
SCHEMBL4032085 0.88 EGFR (0.69) EGFRSRCKDRERBB2KCNH2
SCHEMBL4038232 0.88 EGFR (0.60) EGFRSRCKDRERBB2KCNH2
SCHEMBL4036854 0.87 EGFR (0.63) EGFRSRCKDRERBB2KCNH2
SCHEMBL4040729 0.86 EGFR (0.67) EGFRSRCKDRERBB2KCNH2
SCHEMBL4036988 0.85 EGFR (0.56) EGFRSRCKDRERBB2KCNH2

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 3 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

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 EGFR 4/4885SRC 111/4885KDR 75/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 EGFR 2/4885SRC 39/4885KDR 33/4885

“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.