SCHEMBL6954367

SCHEMBL6954367

COc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.80
GAK O14976 1/20 0.80
ERBB2 P04626 16/20 0.73
ERBB4 Q15303 3/20 0.68
HDAC3 O15379 1/20 0.64
ABL1 P00519 1/20 0.64
INSR P06213 1/20 0.64
PDGFRB P09619 1/20 0.64
CDK2 P24941 1/20 0.64
PLK1 P53350 1/20 0.64
HDAC4 P56524 1/20 0.64
HDAC1 Q13547 1/20 0.64
HDAC7 Q8WUI4 1/20 0.64
HDAC2 Q92769 1/20 0.64
HDAC10 Q969S8 1/20 0.64
HDAC11 Q96DB2 1/20 0.64
HDAC8 Q9BY41 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
HDAC9 Q9UKV0 1/20 0.64
HDAC5 Q9UQL6 1/20 0.64

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
SCHEMBL2507131 0.93 EGFR (0.75) EGFRGAKERBB2ERBB4HDAC3
SCHEMBL12200048 0.91 ERBB2 (0.75) EGFRGAKERBB2ERBB4HDAC3
SCHEMBL2509312 0.89 EGFR (1.00) EGFRGAKERBB2ERBB4HDAC3
SCHEMBL12691367 0.89 EGFR (0.76) EGFRGAKERBB2ERBB4HDAC3
SCHEMBL14878664 0.89 EGFR (0.79) EGFRGAKERBB2ERBB4HDAC3
SCHEMBL2509266 0.89 EGFR (0.79) EGFRGAKERBB2ERBB4HDAC3
SCHEMBL24535497 0.88 EGFR (0.75) EGFRGAKERBB2ERBB4HDAC3
SCHEMBL2505296 0.88 EGFR (0.77) EGFRGAKERBB2ERBB4HDAC3
SCHEMBL2510931 0.88 EGFR (0.75) EGFRGAKERBB2ERBB4HDAC3
SCHEMBL14509726 0.88 EGFR (0.75) EGFRGAKERBB2ERBB4HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349857-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2013-01-08 US disclosed
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 2/4885GAK 340/4885ERBB2 1/4885

“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.