SCHEMBL3875759

SCHEMBL3875759

C#Cc1cc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)ccc1O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 0.80
▸ ILK Q13418 3/20 0.80
▸ KDR P35968 4/20 0.68
▸ ERBB2 P04626 3/20 0.68
▸ FLT1 P17948 2/20 0.68
▸ KDM1A O60341 2/20 0.68
▸ GAK O14976 2/20 0.68
▸ PLK4 O00444 1/20 0.68
▸ CIT O14578 1/20 0.68
▸ AURKA O14965 1/20 0.68
▸ EPHB6 O15197 1/20 0.68
▸ SLC22A1 O15245 1/20 0.68
▸ DAPK3 O43293 1/20 0.68
▸ RIPK2 O43353 1/20 0.68
▸ BUB1 O43683 1/20 0.68
▸ JAK2 O60674 1/20 0.68
▸ RPS6KA4 O75676 1/20 0.68
▸ STK17B O94768 1/20 0.68
▸ STK10 O94804 1/20 0.68
▸ SLCO2B1 O94956 1/20 0.68

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
SCHEMBL23264520 0.89 EGFR (1.00) EGFRILKKDRERBB2FLT1
SCHEMBL13646413 0.88 EGFR (0.63) EGFRILKKDRERBB2FLT1
SCHEMBL14481882 0.88 EGFR (0.80) EGFRILKKDRERBB2FLT1
SCHEMBL1507449 0.88 EGFR (0.80) EGFRILKKDRERBB2FLT1
SCHEMBL2615523 0.88 EGFR (0.80) EGFRILKKDRERBB2FLT1
Hydrochloric Acid SCHEMBL1507642 0.87 EGFR (0.78) EGFRILKKDRERBB2FLT1
SCHEMBL3871041 0.85 EGFR (0.59) EGFRILKKDRERBB2FLT1
SCHEMBL12426808 0.84 HDAC3 (0.69) EGFRILKKDRERBB2GAK
SCHEMBL13219733 0.84 EGFR (0.78) EGFRILKKDRERBB2FLT1
SCHEMBL12426807 0.84 HDAC3 (0.70) EGFRKDRERBB2GAKRIPK2

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
WO-2009121042-A1 QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT CONCERT PHARMACEUTICALS, INC. (US) 2009-10-01 — — WO 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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