SCHEMBL3871041

SCHEMBL3871041

[2H]C([2H])([2H])OC([2H])([2H])C([2H])([2H])Oc1cc2ncnc(Nc3ccc(O)c(C#C)c3)c2cc1OC([2H])([2H])C([2H])([2H])OC([2H])([2H])[2H]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.59
▸ ILK Q13418 2/20 0.59
▸ FBP1 P09467 3/20 0.55
▸ RET P07949 6/20 0.50
▸ KDR P35968 6/20 0.50
▸ ERBB2 P04626 5/20 0.50
▸ KIF5B P33176 4/20 0.50
▸ JAK3 P52333 3/20 0.50
▸ RIPK2 O43353 3/20 0.50
▸ GAK O14976 3/20 0.50
▸ ABCB1 P08183 2/20 0.50
▸ ABCG2 Q9UNQ0 2/20 0.50
▸ STK10 O94804 2/20 0.50
▸ FLT3 P36888 2/20 0.50
▸ AAK1 Q2M2I8 2/20 0.50
▸ SLK Q9H2G2 2/20 0.50
▸ ALK Q9UM73 2/20 0.50
▸ LCK P06239 2/20 0.50
▸ NOD1 Q9Y239 1/20 0.50
▸ PLK4 O00444 1/20 0.50

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
SCHEMBL13646413 0.93 EGFR (0.63) EGFRILKFBP1RETKDR
SCHEMBL3875041 0.89 EGFR (0.71) EGFRILKFBP1RETKDR
SCHEMBL3875034 0.88 EGFR (0.49) EGFRILKFBP1RETKDR
SCHEMBL3875759 0.85 EGFR (0.80) EGFRILKFBP1RETKDR
SCHEMBL13646438 0.84 EGFR (0.55) EGFRILKRETKDRERBB2
SCHEMBL4317814 0.83 EGFR (0.71) EGFRILKFBP1RETKDR
Erlotinib SCHEMBL3969222 0.82 FBP1 (0.74) EGFRILKFBP1RETKDR
SCHEMBL13646416 0.82 EGFR (0.63) EGFRILKFBP1RETKDR
SCHEMBL13646428 0.82 EGFR (0.70) EGFRILKFBP1RETKDR
SCHEMBL12426808 0.77 HDAC3 (0.69) EGFRILKFBP1RETKDR

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 2 patents. 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
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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