SCHEMBL13646431

SCHEMBL13646431

[2H]C([2H])([2H])OC([2H])([2H])COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCC([2H])([2H])OC([2H])([2H])[2H]

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 2/20 0.70
▸ EGFR P00533 14/20 0.69
▸ KDM4E B2RXH2 2/20 0.66
▸ MAPT P10636 2/20 0.66
▸ MAPK1 P28482 2/20 0.66
▸ ABL1 P00519 2/20 0.66
▸ LMNA P02545 2/20 0.66
▸ RAF1 P04049 2/20 0.66
▸ CYP3A4 P08684 2/20 0.66
▸ SRC P12931 2/20 0.66
▸ ABL2 P42684 2/20 0.66
▸ MKNK1 Q9BUB5 2/20 0.66
▸ MEN1 O00255 1/20 0.66
▸ GMNN O75496 1/20 0.66
▸ ALDH1A1 P00352 1/20 0.66
▸ TP53 P04637 1/20 0.66
▸ CYP1A2 P05177 1/20 0.66
▸ GLA P06280 1/20 0.66
▸ CYP2D6 P10635 1/20 0.66
▸ HPGD P15428 1/20 0.66

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
SCHEMBL13646432 0.88 EGFR (0.75) FBP1EGFRKDM4EMAPTMAPK1
Erlotinib SCHEMBL13087124 0.86 EGFR (0.78) FBP1EGFRMAPTABL1LMNA
SCHEMBL13646435 0.86 FBP1 (0.71) FBP1EGFRKDRERBB2AURKA
SCHEMBL13646434 0.85 EGFR (0.68) FBP1EGFRABL1LMNARAF1
SCHEMBL5606140 0.82 FBP1 (1.00) FBP1EGFRKDM4EMAPTMAPK1
SCHEMBL8258194 0.81 EGFR (0.83) FBP1EGFRKDM4EMAPTMAPK1
SCHEMBL13646428 0.81 EGFR (0.70) FBP1EGFRABL1LMNARAF1
Tyrphostin Ag-1478 SCHEMBL93838 0.80 EGFR (1.00) FBP1EGFRKDM4EMAPTMAPK1
Tyrphostin Ag-1478 SCHEMBL31079458 0.80 EGFR (1.00) FBP1EGFRKDM4EMAPTMAPK1
Tyrphostin Ag-1478 SCHEMBL29483198 0.80 EGFR (1.00) FBP1EGFRKDM4EMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090269354-A1 QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT CONCERT PHARMACEUTICALS, INC. (US) 2009-10-29 — — 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-20090269354-A1 QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT ABL1, FLT3, GRK5 FBP1 3745/4885EGFR 19/4885KDM4E 2268/4885

“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.

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