SCHEMBL4031196

SCHEMBL4031196

Fc1cccc(COc2ccc(Nc3ncnc4cccc(OCCN5CCCC5)c34)cc2Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.70
ERBB2 P04626 15/20 0.70
ERBB4 Q15303 2/20 0.58
ERBB3 P21860 1/20 0.58
GAK O14976 1/20 0.57
JAK3 P52333 1/20 0.56

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
SCHEMBL4028923 0.93 EGFR (0.74) EGFRERBB2
SCHEMBL4029767 0.90 ERBB2 (0.76) EGFRERBB2GAK
SCHEMBL4032209 0.89 EGFR (0.81) EGFRERBB2
SCHEMBL3815062 0.87 EGFR (0.70) EGFRERBB2ERBB4ERBB3GAK
SCHEMBL4033907 0.87 ERBB2 (0.72) EGFRERBB2ERBB4ERBB3GAK
SCHEMBL1406638 0.86 ERBB2 (0.85) EGFRERBB2
SCHEMBL4036581 0.85 ERBB2 (0.72) EGFRERBB2ERBB4ERBB3GAK
SCHEMBL4036589 0.85 EGFR (0.83) EGFRERBB2GAK
SCHEMBL3807511 0.84 EGFR (0.66) EGFRERBB2ERBB4ERBB3GAK
SCHEMBL4030297 0.84 ERBB2 (0.72) EGFRERBB2

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 1/4885ERBB4 5/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 EGFR 2/4885ERBB2 1/4885ERBB4 3/4885

“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.