SCHEMBL4033716

SCHEMBL4033716

CN1CCC(Oc2cccc3ncnc(Nc4ccc(OCc5ccccc5Br)c(Cl)c4)c23)CC1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.76
ERBB2 P04626 12/20 0.76
KCNH2 Q12809 2/20 0.76
SRC P12931 2/20 0.57
EPHA2 P29317 1/20 0.50
KDR P35968 1/20 0.50
EPHB4 P54760 1/20 0.50

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
SCHEMBL4033788 0.93 EGFR (0.79) EGFRERBB2KCNH2SRC
SCHEMBL4035336 0.91 EGFR (0.84) EGFRERBB2KCNH2SRCEPHA2
SCHEMBL4031385 0.91 EGFR (0.78) EGFRERBB2KCNH2SRC
SCHEMBL4028960 0.89 EGFR (0.74) EGFRERBB2KCNH2SRC
SCHEMBL4029389 0.88 EGFR (0.81) EGFRERBB2KCNH2SRC
SCHEMBL4030332 0.88 EGFR (0.85) EGFRERBB2KCNH2SRC
SCHEMBL4028004 0.87 EGFR (0.71) EGFRERBB2KCNH2SRC
Hydrochloric Acid SCHEMBL5475625 0.87 EGFR (0.83) EGFRERBB2KCNH2SRC
SCHEMBL4036935 0.87 EGFR (0.73) EGFRERBB2KCNH2SRC
SCHEMBL4030934 0.86 ERBB2 (1.00) EGFRERBB2KCNH2

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-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

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 EGFR 4/4885ERBB2 1/4885KCNH2 1510/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 EGFR 2/4885ERBB2 1/4885KCNH2 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.