SCHEMBL6976550

SCHEMBL6976550

C/C(=N\OCCOS(C)(=O)=O)c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.64
ERBB2 P04626 17/20 0.64
ERBB4 Q15303 2/20 0.58
GAK O14976 1/20 0.58
MEN1 O00255 1/20 0.55
PIK3C2B O00750 1/20 0.55
MAP2K7 O14733 1/20 0.55
RIPK2 O43353 1/20 0.55
PIK3C2G O75747 1/20 0.55
STK10 O94804 1/20 0.55
ABCB11 O95342 1/20 0.55
ABL1 P00519 1/20 0.55
INSR P06213 1/20 0.55
RET P07949 1/20 0.55
CYP3A4 P08684 1/20 0.55
PDGFRB P09619 1/20 0.55
SRC P12931 1/20 0.55
CYP3A5 P20815 1/20 0.55
ERBB3 P21860 1/20 0.55
CDK2 P24941 1/20 0.55

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
SCHEMBL6959611 0.91 EGFR (0.60) EGFRERBB2ERBB4GAKMEN1
SCHEMBL14548628 0.90 EGFR (0.51) EGFRERBB2ERBB4GAKMEN1
SCHEMBL6980092 0.90 EGFR (0.67) EGFRERBB2ERBB4GAKABL1
SCHEMBL15304789 0.88 ERBB2 (0.65) EGFRERBB2ERBB4GAKABL1
SCHEMBL9975240 0.87 EGFR (0.64) EGFRERBB2ERBB4GAKABL1
SCHEMBL9975329 0.87 EGFR (0.70) EGFRERBB2ERBB4GAKABL1
SCHEMBL6979162 0.86 EGFR (0.69) EGFRERBB2ERBB4GAKABL1
SCHEMBL6958746 0.84 EGFR (0.69) EGFRERBB2
SCHEMBL3700102 0.84 EGFR (0.69) EGFRERBB2
SCHEMBL6954796 0.83 EGFR (0.84) EGFRERBB2ERBB4GAKABL1

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 3 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-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 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 (2 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
US-20120123114-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.