SCHEMBL11902491

SCHEMBL11902491

CCOP(=O)(CC(=O)Nc1cc2c(Nc3ccc(OCc4ccccn4)c(Cl)c3)ncnc2cn1)OCC

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 15/20 0.63
EGFR P00533 14/20 0.63
LCK P06239 1/20 0.63
AURKA O14965 1/20 0.54
RPS6KB1 P23443 1/20 0.54
KCNH2 Q12809 3/20 0.51
ERBB3 P21860 1/20 0.51
ERBB4 Q15303 1/20 0.51

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 0.91 ERBB2 (0.74) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL11903204 0.87 EGFR (0.56) ERBB2EGFRERBB4
SCHEMBL11902913 0.86 EGFR (0.53) ERBB2EGFRERBB4
SCHEMBL22967949 0.84 ERBB2 (0.57) ERBB2EGFRLCKKCNH2
SCHEMBL17476605 0.83 EGFR (0.51) ERBB2EGFRERBB4
SCHEMBL10080877 0.82 EGFR (0.61) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL21882884 0.82 EGFR (0.67) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL11903303 0.82 EGFR (0.49) ERBB2EGFRERBB4
SCHEMBL11902704 0.80 EGFR (0.49) ERBB2EGFRERBB4
SCHEMBL11903198 0.79 EGFR (0.74) ERBB2EGFRLCKERBB4

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-20160031877-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-02-04 US disclosed
US-9101632-B2 Kinase inhibitors, prodrug forms thereof and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-08-11 US disclosed
US-20120202832-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-08-09 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-20160031877-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY ERBB2, MAP3K3, ERBB3 ERBB2 1/4885EGFR 110/4885LCK 436/4885
US-20120202832-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY ERBB2, MAP3K3, MAP3K19 ERBB2 1/4885EGFR 110/4885LCK 394/4885

“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.