SCHEMBL10080877

SCHEMBL10080877

CCOP(=O)(CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4ccccn4)c(C)c3)c2c1)OCC

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.61
ERBB2 P04626 11/20 0.61
LCK P06239 1/20 0.61
ERBB4 Q15303 4/20 0.51
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46
KDR P35968 2/20 0.46

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
SCHEMBL9949241 0.92 ERBB2 (0.74) EGFRERBB2LCKERBB4AURKA
SCHEMBL8309178 0.86 EGFR (0.70) EGFRERBB2LCKERBB4AURKA
SCHEMBL8310027 0.85 EGFR (0.66) EGFRERBB2LCKERBB4AURKA
SCHEMBL8308380 0.85 EGFR (0.82) EGFRERBB2LCKERBB4AURKA
SCHEMBL11902491 0.82 ERBB2 (0.63) EGFRERBB2LCKERBB4AURKA
SCHEMBL8307102 0.80 EGFR (0.76) EGFRERBB2LCKERBB4AURKA
SCHEMBL4560407 0.79 EGFR (0.76) EGFRERBB2LCKERBB4AURKA
SCHEMBL8309272 0.79 EGFR (0.76) EGFRERBB2LCKERBB4AURKA
SCHEMBL8307584 0.79 ERBB2 (0.68) EGFRERBB2LCKERBB4AURKA
SCHEMBL22967949 0.78 ERBB2 (0.57) EGFRERBB2LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165352-A1 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-06-28 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-20120165352-A1 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF CSNK1G3, CSNK1A1, CSNK1A1L EGFR 3299/4885ERBB2 851/4885LCK 1153/4885

“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.