SCHEMBL9973595

SCHEMBL9973595

O=Cc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c([RaH])c3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.58
ERBB2 P04626 16/20 0.58
ERBB4 Q15303 1/20 0.57
ABL1 P00519 6/20 0.57
INSR P06213 6/20 0.57
PDGFRB P09619 6/20 0.57
CDK2 P24941 6/20 0.57
PLK1 P53350 6/20 0.57
HDAC1 Q13547 5/20 0.57
HDAC8 Q9BY41 5/20 0.57
HDAC6 Q9UBN7 5/20 0.57
GAK O14976 1/20 0.55
HDAC3 O15379 4/20 0.54
HDAC4 P56524 4/20 0.54
HDAC7 Q8WUI4 4/20 0.54
HDAC2 Q92769 4/20 0.54
HDAC10 Q969S8 4/20 0.54
HDAC11 Q96DB2 4/20 0.54
HDAC9 Q9UKV0 4/20 0.54
HDAC5 Q9UQL6 4/20 0.54

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
SCHEMBL2993473 0.89 EGFR (0.72) EGFRERBB2ERBB4ABL1INSR
SCHEMBL9975296 0.89 ERBB2 (0.60) EGFRERBB2ERBB4ABL1INSR
SCHEMBL14548706 0.88 EGFR (0.56) EGFRERBB2ERBB4ABL1INSR
SCHEMBL3697301 0.87 EGFR (0.62) EGFRERBB2ERBB4ABL1INSR
SCHEMBL9973594 0.86 EGFR (0.58) EGFRERBB2ERBB4ABL1INSR
SCHEMBL4090004 0.82 EGFR (0.79) EGFRERBB2ERBB4ABL1INSR
SCHEMBL3799823 0.82 EGFR (0.78) EGFRERBB2ERBB4ABL1INSR
SCHEMBL14090713 0.78 EGFR (0.72) EGFRERBB2ERBB4ABL1INSR
SCHEMBL2256751 0.78 EGFR (0.77) EGFRERBB2ERBB4ABL1INSR
SCHEMBL6958344 0.78 EGFR (0.69) EGFRERBB2ERBB4ABL1INSR

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-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 US disclosed
US-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 US disclosed
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2009-06-04 US disclosed
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2009-06-04 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-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 EGFR 2/4885ERBB2 1/4885ERBB4 5/4885

“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.