SCHEMBL13646416

SCHEMBL13646416

[2H]C([2H])([2H])OC([2H])([2H])COc1cc2ncnc(Nc3ccc(Br)c(C#C)c3)c2cc1OCC([2H])([2H])OC([2H])([2H])[2H]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 12/20 0.63
▸ ILK Q13418 3/20 0.63
▸ FBP1 P09467 4/20 0.54
▸ ERBB2 P04626 5/20 0.54
▸ KDR P35968 3/20 0.54
▸ KDM1A O60341 2/20 0.54
▸ ABCB1 P08183 2/20 0.54
▸ JAK3 P52333 2/20 0.54
▸ ABCG2 Q9UNQ0 2/20 0.54
▸ PLK4 O00444 1/20 0.54
▸ CIT O14578 1/20 0.54
▸ AURKA O14965 1/20 0.54
▸ GAK O14976 1/20 0.54
▸ EPHB6 O15197 1/20 0.54
▸ SLC22A1 O15245 1/20 0.54
▸ DAPK3 O43293 1/20 0.54
▸ RIPK2 O43353 1/20 0.54
▸ BUB1 O43683 1/20 0.54
▸ JAK2 O60674 1/20 0.54
▸ RPS6KA4 O75676 1/20 0.54

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
SCHEMBL13646428 0.89 EGFR (0.70) EGFRILKFBP1ERBB2KDR
SCHEMBL13646413 0.89 EGFR (0.63) EGFRILKFBP1ERBB2KDR
Erlotinib SCHEMBL13087124 0.83 EGFR (0.78) EGFRILKFBP1ERBB2KDR
SCHEMBL13646432 0.82 EGFR (0.75) EGFRILKFBP1ERBB2KDR
SCHEMBL3871041 0.82 EGFR (0.59) EGFRILKFBP1ERBB2KDR
SCHEMBL3875041 0.82 EGFR (0.71) EGFRILKFBP1ERBB2KDR
SCHEMBL13646438 0.81 EGFR (0.55) EGFRILKERBB2KDRKDM1A
SCHEMBL13646435 0.79 FBP1 (0.71) EGFRFBP1ERBB2KDRAURKA
SCHEMBL13646431 0.79 FBP1 (0.70) EGFRILKFBP1ERBB2KDR
SCHEMBL23264520 0.77 EGFR (1.00) EGFRILKFBP1ERBB2KDR

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 EGFR 19/4885ILK 2741/4885FBP1 3745/4885

“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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