SCHEMBL13646438

SCHEMBL13646438

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.55
▸ ILK Q13418 2/20 0.53
▸ KDR P35968 9/20 0.52
▸ KDM1A O60341 2/20 0.50
▸ FLT1 P17948 2/20 0.49
▸ FGFR1 P11362 1/20 0.49
▸ RET P07949 6/20 0.49
▸ KIF5B P33176 4/20 0.49
▸ JAK3 P52333 3/20 0.49
▸ ABCB1 P08183 2/20 0.49
▸ ABCG2 Q9UNQ0 2/20 0.49
▸ RIPK2 O43353 3/20 0.48
▸ GAK O14976 2/20 0.48
▸ STK10 O94804 2/20 0.48
▸ FLT3 P36888 2/20 0.48
▸ AAK1 Q2M2I8 2/20 0.48
▸ SLK Q9H2G2 2/20 0.48
▸ ALK Q9UM73 2/20 0.48
▸ Q6ZSR9 Q6ZSR9 1/20 0.48
▸ IRAK4 Q9NWZ3 1/20 0.48

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 0.91 EGFR (0.63) EGFRILKKDRKDM1AFLT1
SCHEMBL3875034 0.85 EGFR (0.49) EGFRILKKDRFLT1FGFR1
SCHEMBL3871041 0.84 EGFR (0.59) EGFRILKKDRKDM1AFLT1
SCHEMBL13646416 0.81 EGFR (0.63) EGFRILKKDRKDM1AFLT1
SCHEMBL13646428 0.81 EGFR (0.70) EGFRILKKDRKDM1AFLT1
SCHEMBL13646435 0.79 FBP1 (0.71) EGFRKDRAURKAERBB2PDGFRB
SCHEMBL3875759 0.79 EGFR (0.80) EGFRILKKDRKDM1AFLT1
SCHEMBL13646432 0.79 EGFR (0.75) EGFRILKKDRKDM1AFLT1
SCHEMBL13646431 0.79 FBP1 (0.70) EGFRILKKDRKDM1AFLT1
Erlotinib SCHEMBL13087124 0.77 EGFR (0.78) EGFRILKKDRKDM1AFLT1

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 2741/4885KDR 160/4885

“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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