SCHEMBL3505045

SCHEMBL3505045

OCCOCCn1ccc2ncnc(Nc3cnc(Oc4cccc(OC(F)(F)F)c4)c(Cl)c3)c21

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.83
ERBB2 P04626 18/20 0.83
ERBB3 P21860 17/20 0.83
ERBB4 Q15303 17/20 0.83
FGFR1 P11362 1/20 0.52
KDR P35968 1/20 0.52

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
SCHEMBL3506331 0.94 EGFR (0.78) EGFRERBB2ERBB3ERBB4
SCHEMBL3505765 0.91 EGFR (1.00) EGFRERBB2ERBB3ERBB4FGFR1
SCHEMBL2749410 0.88 EGFR (1.00) EGFRERBB2ERBB3ERBB4
Hydrochloric Acid SCHEMBL3505227 0.88 EGFR (0.65) EGFRERBB2ERBB3ERBB4
SCHEMBL3506524 0.83 EGFR (0.59) EGFRERBB2ERBB3ERBB4
SCHEMBL3505139 0.83 EGFR (0.69) EGFRERBB2ERBB3ERBB4
SCHEMBL2747770 0.82 EGFR (0.83) EGFRERBB2ERBB3ERBB4
SCHEMBL3506623 0.82 EGFR (0.87) EGFRERBB2ERBB3ERBB4
SCHEMBL3506777 0.81 EGFR (0.79) EGFRERBB2ERBB3ERBB4
SCHEMBL986656 0.79 EGFR (1.00) EGFRERBB2ERBB3ERBB4

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 4 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-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 31/4885ERBB3 5/4885

“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.