SCHEMBL4475449

SCHEMBL4475449

CN[C@H](C)COc1cccc2ncnc(Nc3ccc(O)c(C)c3)c12

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 17/20 0.46
EGFR P00533 7/20 0.46
KCNH2 Q12809 6/20 0.46
RET P07949 1/20 0.43
KIF5B P33176 1/20 0.43
KDR P35968 1/20 0.43
RAF1 P04049 1/20 0.41
BRAF P15056 1/20 0.41

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
SCHEMBL4474414 0.89 ERBB2 (0.52) ERBB2EGFRKCNH2
SCHEMBL4469582 0.89 ERBB2 (0.52) ERBB2EGFRKCNH2
SCHEMBL4480924 0.84 ERBB2 (0.50) ERBB2EGFRKCNH2RETKIF5B
SCHEMBL4464955 0.84 EGFR (0.47) ERBB2EGFRKCNH2RETKIF5B
SCHEMBL4484903 0.83 ERBB2 (0.56) ERBB2EGFRKCNH2
SCHEMBL27649240 0.83 EGFR (0.43) ERBB2EGFRKCNH2RETKIF5B
SCHEMBL4480016 0.82 EGFR (0.48) ERBB2EGFRKCNH2RETKIF5B
SCHEMBL27647886 0.82 ERBB2 (0.50) ERBB2EGFRKCNH2
SCHEMBL3808187 0.82 ERBB2 (0.50) ERBB2EGFRKCNH2
SCHEMBL4492886 0.82 ERBB2 (0.68) ERBB2EGFRKCNH2

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-7625908-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-12-01 US disclosed
US-20070244136-A1 Quinazoline Derivatives ASTRAZENECA AB (SE) 2007-10-18 US disclosed
EP-1685116-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2006-08-02 EP disclosed
WO-2005051923-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-06-09 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-20070244136-A1 Quinazoline Derivatives ERBB2, ABL1, MKI67 ERBB2 1/4885EGFR 10/4885KCNH2 3674/4885

“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.