SCHEMBL13748976

SCHEMBL13748976

Cc1cccc(-c2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3[nH]2)c1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.66
ERBB2 P04626 17/20 0.66
ERBB3 P21860 1/20 0.66
ERBB4 Q15303 1/20 0.66
GAK O14976 1/20 0.60

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
SCHEMBL2750505 0.91 EGFR (0.67) EGFRERBB2ERBB3ERBB4GAK
SCHEMBL2748669 0.88 EGFR (0.68) EGFRERBB2ERBB3ERBB4GAK
SCHEMBL2747942 0.85 ERBB2 (0.59) EGFRERBB2ERBB3ERBB4GAK
SCHEMBL4544715 0.85 EGFR (0.63) EGFRERBB2ERBB3ERBB4GAK
SCHEMBL4547474 0.84 ERBB2 (0.53) EGFRERBB2ERBB3ERBB4GAK
Hydrochloric Acid SCHEMBL2748377 0.84 EGFR (0.62) EGFRERBB2ERBB3ERBB4GAK
SCHEMBL13949409 0.83 EGFR (0.73) EGFRERBB2ERBB3ERBB4GAK
SCHEMBL2749597 0.83 EGFR (0.69) EGFRERBB2ERBB3ERBB4GAK
SCHEMBL2747931 0.83 EGFR (0.59) EGFRERBB2ERBB3ERBB4GAK
SCHEMBL4544774 0.82 EGFR (0.71) 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-20090203717-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-13 US disclosed
US-20090203717-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-13 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-20090203717-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.