SCHEMBL4031490

SCHEMBL4031490

CN1CCC(Oc2cccc3ncnc(Nc4ccc5c(ccn5Cc5ccccn5)c4)c23)CC1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 15/20 0.68
EGFR P00533 12/20 0.68
KCNH2 Q12809 2/20 0.68
ERBB4 Q15303 1/20 0.53
SRC P12931 1/20 0.51

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
SCHEMBL4031274 0.90 EGFR (0.59) ERBB2EGFRKCNH2ERBB4SRC
SCHEMBL4031616 0.90 EGFR (0.62) ERBB2EGFRKCNH2ERBB4SRC
Hydrochloric Acid SCHEMBL4028093 0.89 EGFR (0.62) ERBB2EGFRKCNH2ERBB4SRC
SCHEMBL4034152 0.88 EGFR (0.56) ERBB2EGFRKCNH2SRC
SCHEMBL4032512 0.88 EGFR (0.69) ERBB2EGFRKCNH2SRC
SCHEMBL4027993 0.88 EGFR (0.64) ERBB2EGFRKCNH2ERBB4SRC
SCHEMBL4029468 0.87 EGFR (0.56) ERBB2EGFRKCNH2SRC
SCHEMBL4031341 0.87 EGFR (0.64) ERBB2EGFRKCNH2SRC
SCHEMBL4031297 0.87 EGFR (0.64) ERBB2EGFRKCNH2SRC
SCHEMBL4037759 0.87 EGFR (0.65) ERBB2EGFRKCNH2ERBB4SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070082921-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-12 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

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.