SCHEMBL4965393

SCHEMBL4965393

CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CNC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 1.00
ERBB2 P04626 10/20 0.84
STK25 O00506 1/20 0.84
CIT O14578 1/20 0.84
CHEK1 O14757 1/20 0.84
GAK O14976 1/20 0.84
DAPK3 O43293 1/20 0.84
JAK2 O60674 1/20 0.84
STK17B O94768 1/20 0.84
STK10 O94804 1/20 0.84
MAP4K4 O95819 1/20 0.84
ABL1 P00519 1/20 0.84
LCK P06239 1/20 0.84
FYN P06241 1/20 0.84
FES P07332 1/20 0.84
CSF1R P07333 1/20 0.84
YES1 P07947 1/20 0.84
LYN P07948 1/20 0.84
MET P08581 1/20 0.84
HCK P08631 1/20 0.84

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
SCHEMBL4965396 1.00 EGFR (1.00) EGFRERBB2STK25CITCHEK1
SCHEMBL14925319 0.93 EGFR (1.00) EGFRERBB2STK25CITCHEK1
SCHEMBL14925603 0.93 EGFR (1.00) EGFRERBB2STK25CITCHEK1
SCHEMBL6466768 0.93 EGFR (0.86) EGFRERBB2STK25CITCHEK1
SCHEMBL5499556 0.93 EGFR (0.86) EGFRERBB2STK25CITCHEK1
SCHEMBL5499558 0.93 EGFR (0.86) EGFRERBB2STK25CITCHEK1
Hydrochloric Acid SCHEMBL2024049 0.92 EGFR (0.99) EGFRERBB2STK25CITCHEK1
SCHEMBL5496335 0.92 EGFR (1.00) EGFRERBB2STK25CITCHEK1
SCHEMBL5496337 0.92 EGFR (1.00) EGFRERBB2STK25CITCHEK1
SCHEMBL17559179 0.91 EGFR (0.84) EGFRERBB2STK25CITCHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116206-A1 QUINOLINE DERIVATIVES USED AS PET IMAGING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2013-05-09 US disclosed
EP-1883630-A2 METHODS OF SYNTHESIZING 6-ALKYLAMINOQUINOLINE DERIVATIVES Wyeth (US) 2008-02-06 EP disclosed
WO-2006127203-A2 METHODS OF SYNTHESIZING 6-ALKYLAMINOQUINOLINE DERIVATIVES WYETH (US) 2006-11-30 WO disclosed
US-20060270670-A1 Methods of synthesizing 6-alkylaminoquinoline derivatives WYETH 2006-11-30 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 (2 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-20130116206-A1 QUINOLINE DERIVATIVES USED AS PET IMAGING AGENTS ERBB2, EGFR, ERBB4 EGFR 2/4885ERBB2 1/4885STK25 498/4885
US-20060270670-A1 Methods of synthesizing 6-alkylaminoquinoline derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RECQL, NQO2 EGFR 591/4885ERBB2 662/4885STK25 3019/4885

“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.