SCHEMBL3899290

SCHEMBL3899290

CC(C)(C)N(CCn1ccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c21)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 19/20 0.54
EGFR P00533 11/20 0.54
LCK P06239 2/20 0.54
KCNH2 Q12809 5/20 0.52
ERBB4 Q15303 3/20 0.52
ERBB3 P21860 2/20 0.52
AURKA O14965 1/20 0.50
RPS6KB1 P23443 1/20 0.50
LYN P07948 1/20 0.49
MET P08581 1/20 0.49
SRC P12931 1/20 0.49
CSK P41240 1/20 0.49
MAP2K1 Q02750 1/20 0.49
TEK Q02763 1/20 0.49

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
SCHEMBL2749154 0.85 ERBB2 (0.58) ERBB2EGFRLCKKCNH2ERBB4
SCHEMBL3509411 0.85 EGFR (0.64) ERBB2EGFRLCKERBB4ERBB3
SCHEMBL27684248 0.84 ERBB2 (0.56) ERBB2EGFRLCKKCNH2ERBB4
SCHEMBL3507874 0.83 ERBB2 (0.53) ERBB2EGFRKCNH2ERBB4ERBB3
SCHEMBL2749966 0.82 ERBB2 (0.59) ERBB2EGFRLCKKCNH2ERBB4
SCHEMBL3506312 0.82 EGFR (0.68) ERBB2EGFRLCKERBB4ERBB3
Hydrochloric Acid SCHEMBL2747544 0.82 ERBB2 (0.59) ERBB2EGFRLCKKCNH2ERBB4
SCHEMBL2749495 0.81 EGFR (0.69) ERBB2EGFRLCKERBB4ERBB3
SCHEMBL2748644 0.81 EGFR (0.72) ERBB2EGFRLCKERBB4ERBB3
SCHEMBL27684223 0.81 ERBB2 (0.62) ERBB2EGFRLCKKCNH2ERBB4

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 6 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-7507740-B2 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-24 US disclosed
US-20090029973-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-29 US disclosed
US-20090018335-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-15 US disclosed
US-20070244132-A1 Fused Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-18 US disclosed
EP-1752457-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-02-14 EP 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 (4 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 ERBB2 21/4885EGFR 68/4885LCK 232/4885
US-20070244132-A1 Fused Heterocyclic Compound NOX3, ERBB3, CBR3 ERBB2 21/4885EGFR 68/4885LCK 232/4885
US-20090029973-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 ERBB2 21/4885EGFR 68/4885LCK 232/4885
US-20090018335-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 ERBB2 21/4885EGFR 68/4885LCK 232/4885

“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.