SCHEMBL13646436

SCHEMBL13646436

[2H]C([2H])([2H])OC([2H])([2H])COc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1OCC([2H])([2H])OC([2H])([2H])[2H]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 19/20 0.67
▸ EGFR P00533 16/20 0.67
▸ RET P07949 2/20 0.67
▸ KIF5B P33176 2/20 0.67
▸ FLT1 P17948 11/20 0.60
▸ FGFR1 P11362 10/20 0.60
▸ FLT4 P35916 9/20 0.60
▸ PDGFRB P09619 3/20 0.60
▸ FGFR2 P21802 2/20 0.60
▸ FGFR4 P22455 2/20 0.60
▸ FGFR3 P22607 2/20 0.60
▸ TEK Q02763 2/20 0.55
▸ BMPR1B O00238 1/20 0.55
▸ PLK4 O00444 1/20 0.55
▸ CIT O14578 1/20 0.55
▸ GAK O14976 1/20 0.55
▸ EPHB6 O15197 1/20 0.55
▸ RIPK2 O43353 1/20 0.55
▸ ROCK2 O75116 1/20 0.55
▸ STK10 O94804 1/20 0.55

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
SCHEMBL13646414 0.90 KDR (0.60) KDREGFRRETKIF5BFLT1
SCHEMBL7864780 0.84 KDR (0.83) KDREGFRRETKIF5BFLT1
Hydrochloric Acid SCHEMBL7866007 0.83 KDR (0.82) KDREGFRRETKIF5BFLT1
SCHEMBL13646432 0.83 EGFR (0.75) KDREGFRRETFLT1FLT4
SCHEMBL1468254 0.81 KDR (0.78) KDREGFRRETKIF5BFLT1
SCHEMBL1468281 0.81 KDR (0.82) KDREGFRRETKIF5BFLT1
SCHEMBL14964748 0.81 KDR (0.82) KDREGFRRETKIF5BFLT1
SCHEMBL5864525 0.81 KDR (1.00) KDREGFRRETKIF5BFLT1
Hydrochloric Acid SCHEMBL1467540 0.80 KDR (0.77) KDREGFRRETKIF5BFLT1
SCHEMBL4109645 0.80 KDR (0.80) KDREGFRRETKIF5BFLT1

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 KDR 160/4885EGFR 19/4885RET 47/4885

“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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