SCHEMBL4470168

SCHEMBL4470168

CC(=O)N(C)CCOc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 18/20 0.75
EGFR P00533 10/20 0.71
KCNH2 Q12809 3/20 0.71
ERBB3 P21860 1/20 0.53
ERBB4 Q15303 1/20 0.53
FECH P22830 1/20 0.48
CDK8 P49336 1/20 0.48
MAP2K5 Q13163 1/20 0.48
CDK19 Q9BWU1 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44

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
SCHEMBL4482347 0.92 ERBB2 (0.81) ERBB2EGFRKCNH2ERBB3ERBB4
SCHEMBL4485841 0.87 ERBB2 (0.76) ERBB2EGFRKCNH2ERBB3ERBB4
SCHEMBL4487725 0.87 ERBB2 (0.76) ERBB2EGFRKCNH2ERBB3ERBB4
SCHEMBL4478544 0.86 ERBB2 (0.73) ERBB2EGFRKCNH2ERBB3ERBB4
SCHEMBL4472217 0.86 ERBB2 (0.73) ERBB2EGFRKCNH2ERBB3ERBB4
SCHEMBL5635821 0.86 ERBB2 (1.00) ERBB2EGFRKCNH2ERBB3ERBB4
SCHEMBL5635963 0.85 ERBB2 (0.77) ERBB2EGFRKCNH2ERBB3ERBB4
SCHEMBL5634950 0.85 ERBB2 (1.00) ERBB2EGFRKCNH2ERBB3ERBB4
SCHEMBL5636164 0.84 ERBB2 (0.76) ERBB2EGFRKCNH2ERBB3ERBB4
SCHEMBL4477486 0.84 ERBB2 (0.66) ERBB2EGFRKCNH2ERBB3ERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625908-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-12-01 US claimed
US-20070244136-A1 Quinazoline Derivatives ASTRAZENECA AB (SE) 2007-10-18 US claimed
JP-2007511491-A 2007-05-10 JP claimed
EP-1685116-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2006-08-02 EP claimed
WO-2005051923-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-06-09 WO claimed
US-7625908-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-12-01 US disclosed
US-7625908-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-12-01 US disclosed
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
US-20070244136-A1 Quinazoline Derivatives ASTRAZENECA AB (SE) 2007-10-18 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.