SCHEMBL6979330

SCHEMBL6979330

CCNCCO/N=C(\C)c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(C)c3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.52
ERBB2 P04626 15/20 0.52
GAK O14976 1/20 0.48
ERBB4 Q15303 2/20 0.47

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
SCHEMBL9975240 0.92 EGFR (0.64) EGFRERBB2GAKERBB4
SCHEMBL9975239 0.91 ERBB2 (0.55) EGFRERBB2GAKERBB4
SCHEMBL6978602 0.87 EGFR (0.58) EGFRERBB2GAKERBB4
SCHEMBL9975297 0.85 EGFR (0.59) EGFRERBB2
SCHEMBL15304789 0.84 ERBB2 (0.65) EGFRERBB2GAKERBB4
SCHEMBL2478977 0.83 EGFR (0.60) EGFRERBB2GAKERBB4
SCHEMBL29651885 0.83 EGFR (0.60) EGFRERBB2GAKERBB4
SCHEMBL2478975 0.83 EGFR (0.60) EGFRERBB2GAKERBB4
SCHEMBL6955065 0.83 EGFR (0.60) EGFRERBB2GAKERBB4
SCHEMBL6980092 0.83 EGFR (0.67) EGFRERBB2GAKERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 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 (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-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 EGFR 2/4885ERBB2 1/4885GAK 340/4885

“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.