SCHEMBL4736845

SCHEMBL4736845

C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1C#C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.66
KDR P35968 6/20 0.66
FLT1 P17948 4/20 0.66
ILK Q13418 3/20 0.66
ERBB2 P04626 3/20 0.66
KDM1A O60341 2/20 0.66
FLT4 P35916 2/20 0.66
GAK O14976 2/20 0.66
PLK4 O00444 1/20 0.66
CIT O14578 1/20 0.66
AURKA O14965 1/20 0.66
EPHB6 O15197 1/20 0.66
SLC22A1 O15245 1/20 0.66
DAPK3 O43293 1/20 0.66
RIPK2 O43353 1/20 0.66
BUB1 O43683 1/20 0.66
JAK2 O60674 1/20 0.66
RPS6KA4 O75676 1/20 0.66
STK17B O94768 1/20 0.66
STK10 O94804 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
Hydrochloric Acid SCHEMBL4877663 0.99 EGFR (0.66) EGFRKDRFLT1ILKERBB2
SCHEMBL3172507 0.90 EGFR (0.67) EGFRKDRFLT1ILKERBB2
SCHEMBL4480665 0.85 EGFR (0.61) EGFRKDRFLT1ILKERBB2
SCHEMBL4116471 0.80 EGFR (0.60) EGFRKDRFLT1ILKERBB2
SCHEMBL845053 0.79 KDR (0.63) EGFRKDRFLT1ILKERBB2
Erlotinib SCHEMBL29351329 0.79 EGFR (1.00) EGFRKDRFLT1ILKERBB2
Erlotinib SCHEMBL8413 0.79 EGFR (1.00) EGFRKDRFLT1ILKERBB2
Erlotinib SCHEMBL3667407 0.79 EGFR (1.00) EGFRKDRFLT1ILKERBB2
Erlotinib SCHEMBL30362833 0.79 EGFR (1.00) EGFRKDRFLT1ILKERBB2
SCHEMBL23264520 0.78 EGFR (1.00) EGFRKDRFLT1ILKERBB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343950-B2 Cell surface tyrosine receptor kinase inhibitors; pyrogen-free; lung cancer; benign prostatic hyperplasia CONCERT PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
US-20080166358-A1 QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT CONCERT PHARMACEUTICALS INC. (US) 2008-07-10 US disclosed
WO-2008076949-A2 QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT CONCERT PHARMACEUTICALS INC. (US) 2008-06-26 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-20080166358-A1 QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT ABL1, FLT3, GRK5 EGFR 19/4885KDR 160/4885FLT1 300/4885

“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.