SCHEMBL5568830

SCHEMBL5568830

CN(C)CC(=O)N1CCC(Oc2ccc3ncnc(Nc4ccc(OCc5cnccn5)cc4)c3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 14/20 0.51
EGFR P00533 7/20 0.46
ERBB4 Q15303 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42

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
SCHEMBL5569194 0.91 ERBB2 (0.56) ERBB2EGFR
SCHEMBL5569141 0.91 EGFR (0.58) ERBB2EGFR
SCHEMBL5565179 0.90 EGFR (0.56) ERBB2EGFRERBB4
SCHEMBL5564529 0.90 ERBB2 (0.56) ERBB2EGFR
SCHEMBL5567844 0.87 ERBB2 (0.58) ERBB2EGFR
Hydrochloric Acid SCHEMBL5564704 0.86 ERBB2 (0.57) ERBB2EGFR
SCHEMBL5564200 0.83 ERBB2 (0.60) ERBB2EGFR
SCHEMBL5564736 0.83 EGFR (0.58) ERBB2EGFR
SCHEMBL5568052 0.83 EGFR (0.63) ERBB2EGFRERBB4
SCHEMBL6017562 0.83 EGFR (0.51) ERBB2EGFRERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032508-A1 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2007-02-08 US claimed
EP-1664028-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS AstraZeneca AB (SE) 2006-06-07 EP claimed
WO-2005026151-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2005-03-24 WO claimed
US-20070032508-A1 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2007-02-08 US disclosed
US-20070032508-A1 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2007-02-08 US disclosed
EP-1664028-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026151-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2005-03-24 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 (1 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-20070032508-A1 Quinazoline derivatives as tyrosine kinase inhibitors ABL1, ERBB2, LCK ERBB2 2/4885EGFR 15/4885ERBB4 8/4885

“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.