SCHEMBL4030835

SCHEMBL4030835

CN1CCC(Oc2cccc3ncnc(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)c23)CC1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 18/20 0.68
EGFR P00533 16/20 0.68
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
SCHEMBL4030928 0.90 ERBB2 (0.69) ERBB2EGFR
SCHEMBL4027754 0.87 EGFR (0.69) ERBB2EGFRKCNH2
SCHEMBL3378119 0.87 ERBB2 (0.77) ERBB2EGFR
SCHEMBL4080222 0.82 ERBB2 (0.73) ERBB2EGFR
SCHEMBL4029974 0.82 EGFR (0.85) ERBB2EGFRKCNH2
SCHEMBL4036733 0.82 ERBB2 (0.84) ERBB2EGFRKCNH2
SCHEMBL3377629 0.82 ERBB2 (0.71) ERBB2EGFR
Hydrochloric Acid SCHEMBL4041008 0.81 EGFR (0.75) ERBB2EGFRKCNH2
SCHEMBL3380349 0.81 ERBB2 (0.89) ERBB2EGFRKCNH2
SCHEMBL4037759 0.81 EGFR (0.65) ERBB2EGFRKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444210-B1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-02-18 EP claimed
US-20070082921-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-12 US claimed
US-20050043336-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-24 US claimed
EP-1444210-B1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-02-18 EP disclosed
US-20070082921-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-12 US disclosed
US-20050043336-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-24 US disclosed
EP-1444210-A1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040108-A1 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-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 ERBB2 1/4885EGFR 4/4885KCNH2 1510/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 ERBB2 1/4885EGFR 2/4885KCNH2 1844/4885

“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.