SCHEMBL3507014

SCHEMBL3507014

CN(CCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c21)C(=O)CS(C)(=O)=O

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.78
ERBB2 P04626 20/20 0.78
ERBB4 Q15303 10/20 0.70
ERBB3 P21860 9/20 0.70
LCK P06239 1/20 0.63
LYN P07948 1/20 0.63
MET P08581 1/20 0.63
CSK P41240 1/20 0.63
MAP2K1 Q02750 1/20 0.63
AURKB Q96GD4 1/20 0.63

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
SCHEMBL2748591 0.91 EGFR (0.85) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL2749729 0.91 EGFR (0.72) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL3129751 0.90 EGFR (0.76) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL3507583 0.89 EGFR (0.78) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL986142 0.88 EGFR (1.00) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL3124458 0.84 EGFR (0.88) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL14494932 0.84 EGFR (0.76) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL13423929 0.83 EGFR (0.61) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL2748279 0.83 EGFR (0.77) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL3509066 0.83 EGFR (1.00) EGFRERBB2ERBB4ERBB3LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216788-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-20100216788-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-20100216788-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
WO-2010036910-A1 HEART PROTECTION BY ADMINISTERING AN AMP-ACTIVATED PROTEIN KINASE ACTIVATOR OHTA YOSHIKAZU (JP) 2010-04-01 WO disclosed
WO-2010036928-A1 PREVENTION AND TREATMENT OF CANCER WITH LKB1 NON-EXPRESSION (DELETION OR MUTATION) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-01 WO disclosed
EP-1957495-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-08-20 EP disclosed
WO-2007064045-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-07 WO disclosed
WO-2007064045-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-07 WO 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-20100216788-A1 FUSED HETEROCYCLIC COMPOUND GRK6, FGFR1, PTK6 EGFR 54/4885ERBB2 31/4885ERBB4 13/4885

“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.