SCHEMBL10108185

SCHEMBL10108185

Bc1cccc(Nc2ncnc3ccc(NC(=O)/C=C/CN4CCCCC4)cc23)c1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.81
ERBB2 P04626 14/20 0.81
ERBB4 Q15303 4/20 0.59
JAK3 P52333 2/20 0.59
ERBB3 P21860 1/20 0.57

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
SCHEMBL868800 0.90 EGFR (1.00) EGFRERBB2
SCHEMBL868801 0.90 EGFR (1.00) EGFRERBB2
SCHEMBL16681478 0.84 EGFR (0.79) EGFRERBB2ERBB4JAK3
SCHEMBL15391293 0.84 EGFR (0.79) EGFRERBB2ERBB4JAK3
SCHEMBL10108150 0.83 EGFR (0.80) EGFRERBB2ERBB4JAK3
SCHEMBL867824 0.81 EGFR (1.00) EGFRERBB2
SCHEMBL867825 0.81 EGFR (1.00) EGFRERBB2
SCHEMBL1418284 0.79 EGFR (0.81) EGFRERBB2
SCHEMBL1418278 0.79 EGFR (0.81) EGFRERBB2
SCHEMBL7914891 0.79 FYN (0.78) EGFRERBB2ERBB4JAK3

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-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 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-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K EGFR 48/4885ERBB2 7/4885ERBB4 17/4885

“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.