SCHEMBL4559873

SCHEMBL4559873

COc1cc2c(Nc3ccc(I)c4c3OCO4)c(C#N)cnc2cc1OCCCN1CCN(C)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 0.70
FYN P06241 4/20 0.70
ABL1 P00519 4/20 0.67
BCR P11274 4/20 0.67
WEE2 P0C1S8 2/20 0.67
WEE1 P30291 2/20 0.67
PKMYT1 Q99640 2/20 0.67
MAP2K1 Q02750 2/20 0.67
STK25 O00506 1/20 0.67
CIT O14578 1/20 0.67
RIOK3 O14730 1/20 0.67
MAP2K7 O14733 1/20 0.67
CHEK1 O14757 1/20 0.67
CASK O14936 1/20 0.67
GAK O14976 1/20 0.67
EPHB6 O15197 1/20 0.67
MAP3K13 O43283 1/20 0.67
MAP3K7 O43318 1/20 0.67
RIPK2 O43353 1/20 0.67
NUAK1 O60285 1/20 0.67

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
SCHEMBL4496616 0.93 SRC (0.73) SRCFYNABL1BCRWEE2
SCHEMBL7069729 0.92 SRC (0.71) SRCFYNABL1BCRWEE2
SCHEMBL5459225 0.89 SRC (0.67) SRCFYNABL1BCRWEE2
SCHEMBL4481862 0.88 SRC (0.66) SRCFYNABL1BCRWEE2
SCHEMBL4498460 0.87 SRC (0.66) SRCABL1BCRGAKEGFR
SCHEMBL5955610 0.85 SRC (0.67) SRCFYNABL1BCRWEE2
SCHEMBL5473881 0.84 SRC (0.60) SRCFYNABL1BCRWEE2
Hydrochloric Acid SCHEMBL5479170 0.83 SRC (0.59) SRCFYNABL1BCRWEE2
SCHEMBL7070507 0.83 SRC (0.70) SRCFYNABL1BCRMAP2K1
SCHEMBL10108347 0.83 SRC (0.86) SRCFYNABL1BCRWEE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003047582-A1 QUINOLINE DERIVATIVES AS ANTITUMOUR AGENTS ASTRAZENECA AB (SE) 2003-06-12 WO claimed
US-7501516-B2 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-03-10 US disclosed
EP-1409481-B1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-10-04 EP disclosed
US-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2005-01-13 US disclosed
EP-1409481-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS Astrazeneca AB (SE) 2004-04-21 EP disclosed
WO-2003047582-A1 QUINOLINE DERIVATIVES AS ANTITUMOUR AGENTS ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2003008409-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2003-01-30 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-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ABL1, FLT3, JAK2 SRC 9/4885FYN 111/4885ABL1 1/4885

“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.