SCHEMBL4547518

SCHEMBL4547518

OCCOCCN1CCc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c21

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.56
ERBB2 P04626 14/20 0.56
ERBB3 P21860 1/20 0.53
ERBB4 Q15303 1/20 0.53
GAK O14976 1/20 0.53

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
SCHEMBL4547477 0.91 EGFR (0.58) EGFRERBB2ERBB3ERBB4GAK
SCHEMBL13756432 0.89 EGFR (0.61) EGFRERBB2ERBB3ERBB4GAK
SCHEMBL13970295 0.88 EGFR (0.62) EGFRERBB2ERBB3ERBB4GAK
SCHEMBL4547522 0.84 SLC2A1 (0.61) EGFRERBB2ERBB3ERBB4GAK
SCHEMBL13970301 0.84 ERBB2 (0.57) EGFRERBB2ERBB3ERBB4
SCHEMBL13902501 0.84 ERBB2 (0.60) EGFRERBB2ERBB3ERBB4GAK
SCHEMBL981463 0.82 EGFR (0.69) EGFRERBB2ERBB3ERBB4GAK
SCHEMBL2748695 0.80 EGFR (0.58) EGFRERBB2ERBB3ERBB4GAK
SCHEMBL2749373 0.80 EGFR (0.68) EGFRERBB2ERBB3ERBB4GAK
SCHEMBL13970246 0.79 EGFR (0.56) EGFRERBB2ERBB3ERBB4GAK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178543-B2 growth factor receptor tyrosine kinase inhibitor; anticarcinogenic agents; N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
US-20090029973-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-29 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-20090029973-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 EGFR 68/4885ERBB2 21/4885ERBB3 2/4885

“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.