SCHEMBL4075477

SCHEMBL4075477

C[C@H](COc1cccc2ncnc(Nc3ccc4c(cnn4Cc4ccccn4)c3)c12)N(C)C(=O)CO

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 19/20 0.74
EGFR P00533 5/20 0.74
KCNH2 Q12809 1/20 0.74
ERBB4 Q15303 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
SCHEMBL4074558 0.88 ERBB2 (0.69) ERBB2EGFRKCNH2ERBB4
SCHEMBL4072560 0.88 ERBB2 (0.72) ERBB2EGFRKCNH2ERBB4
SCHEMBL4073026 0.87 ERBB2 (0.78) ERBB2EGFRKCNH2
SCHEMBL3373734 0.86 ERBB2 (0.79) ERBB2EGFRKCNH2ERBB4
SCHEMBL3379097 0.85 ERBB2 (1.00) ERBB2EGFRKCNH2
SCHEMBL3376320 0.85 ERBB2 (1.00) ERBB2EGFRKCNH2
SCHEMBL4401619 0.85 ERBB2 (0.72) ERBB2EGFRKCNH2ERBB4
SCHEMBL4083320 0.85 ERBB2 (0.76) ERBB2EGFRKCNH2ERBB4
SCHEMBL3376620 0.85 ERBB2 (0.88) ERBB2EGFRKCNH2ERBB4
SCHEMBL3376295 0.85 ERBB2 (0.88) ERBB2EGFRKCNH2ERBB4

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-20090221616-A1 QUINAZOLINE DERIVATIVES AS EGF AND/OR ERBB2 TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-09-03 US claimed
EP-1877398-B1 QUINAZOLINE DERIVATIVES AS EGF AND/OR ERBB2 TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-08-05 EP claimed
US-20090221616-A1 QUINAZOLINE DERIVATIVES AS EGF AND/OR ERBB2 TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-09-03 US disclosed
EP-1877398-B1 QUINAZOLINE DERIVATIVES AS EGF AND/OR ERBB2 TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-08-05 EP 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-20090221616-A1 QUINAZOLINE DERIVATIVES AS EGF AND/OR ERBB2 TYROSINE KINASE INHIBITORS ERBB2, EGFR, ERBB3 ERBB2 1/4885EGFR 2/4885KCNH2 4222/4885

“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.