SCHEMBL13646432

SCHEMBL13646432

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.75
▸ FBP1 P09467 4/20 0.71
▸ ERBB2 P04626 5/20 0.69
▸ ERBB4 Q15303 3/20 0.69
▸ KDR P35968 7/20 0.66
▸ GAK O14976 2/20 0.66
▸ ABL1 P00519 2/20 0.66
▸ CYP3A4 P08684 2/20 0.66
▸ SRC P12931 2/20 0.66
▸ MKNK1 Q9BUB5 2/20 0.66
▸ ABCG2 Q9UNQ0 2/20 0.66
▸ KDM4E B2RXH2 1/20 0.66
▸ MAPK13 O15264 1/20 0.66
▸ CYP1A2 P05177 1/20 0.66
▸ CDK1 P06493 1/20 0.66
▸ CYP2D6 P10635 1/20 0.66
▸ MAPT P10636 1/20 0.66
▸ CYP2C9 P11712 1/20 0.66
▸ TSHR P16473 1/20 0.66
▸ MAPK1 P28482 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
SCHEMBL13646431 0.88 FBP1 (0.70) EGFRFBP1ERBB2ERBB4KDR
Erlotinib SCHEMBL13087124 0.86 EGFR (0.78) EGFRFBP1ERBB2ERBB4KDR
SCHEMBL13646434 0.85 EGFR (0.68) EGFRFBP1ERBB2ERBB4KDR
SCHEMBL22367416 0.83 FBP1 (1.00) EGFRFBP1ERBB2ERBB4KDR
SCHEMBL13646436 0.83 KDR (0.67) EGFRERBB2ERBB4KDRGAK
SCHEMBL3008965 0.82 FBP1 (1.00) EGFRFBP1ERBB2ERBB4KDR
SCHEMBL13646416 0.82 EGFR (0.63) EGFRFBP1ERBB2ERBB4KDR
SCHEMBL8349430 0.82 EGFR (0.91) EGFRFBP1ERBB2ERBB4KDR
SCHEMBL4232360 0.81 FBP1 (0.84) EGFRFBP1ERBB2ERBB4KDR
Erlotinib SCHEMBL13087052 0.81 EGFR (0.86) EGFRFBP1ERBB2ERBB4KDR

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 19/4885FBP1 3745/4885ERBB2 4/4885

“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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