SCHEMBL4547474

SCHEMBL4547474

Cc1cc(Nc2ncnc3cc(-c4cccc(N)c4)[nH]c23)ccc1OCc1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 18/20 0.53
EGFR P00533 18/20 0.53
ERBB3 P21860 1/20 0.53
ERBB4 Q15303 1/20 0.53
GAK O14976 1/20 0.48

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
SCHEMBL13902488 0.92 EGFR (0.54) ERBB2EGFRERBB3ERBB4GAK
SCHEMBL2750505 0.90 EGFR (0.67) ERBB2EGFRERBB3ERBB4GAK
SCHEMBL13756242 0.84 EGFR (0.56) ERBB2EGFRERBB3ERBB4GAK
SCHEMBL13748976 0.84 EGFR (0.66) ERBB2EGFRERBB3ERBB4GAK
SCHEMBL2748669 0.82 EGFR (0.68) ERBB2EGFRERBB3ERBB4GAK
SCHEMBL14403152 0.81 EGFR (0.52) ERBB2EGFRERBB3ERBB4GAK
SCHEMBL12255288 0.80 EGFR (0.61) ERBB2EGFRERBB4GAK
SCHEMBL2749386 0.79 ERBB2 (0.64) ERBB2EGFRERBB3ERBB4
SCHEMBL13814707 0.77 EGFR (0.62) ERBB2EGFRERBB3ERBB4GAK
SCHEMBL13889686 0.77 EGFR (0.61) ERBB2EGFRERBB3ERBB4GAK

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 ERBB2 21/4885EGFR 68/4885ERBB3 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.