SCHEMBL14730873

SCHEMBL14730873

COc1cc(Nc2ccnc3ccc([S+]([O-])C4CCOCC4)cc23)ccc1CI

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.43
GAK O14976 15/20 0.43
RIPK2 O43353 10/20 0.43
COQ8A Q8NI60 10/20 0.43
NLK Q9UBE8 10/20 0.43
EPHB6 O15197 3/20 0.40
ABL1 P00519 3/20 0.40
LCK P06239 2/20 0.40
EPHA1 P21709 2/20 0.40
EPHA8 P29322 2/20 0.40
TXK P42681 1/20 0.40
ACVR1 Q04771 2/20 0.40
STK16 O75716 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
BMPR1B O00238 1/20 0.38
SRC P12931 1/20 0.38
MAP2K5 Q13163 1/20 0.38
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
CSF1R P07333 1/20 0.35

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
SCHEMBL2589406 0.87 GAK (0.46) EGFRGAKRIPK2COQ8ANLK
SCHEMBL600967 0.72 RIPK2 (0.37) GAKRIPK2LCK
SCHEMBL600385 0.72 RIPK2 (0.37) GAKRIPK2LCK
SCHEMBL600708 0.72 RIPK2 (0.37) GAKRIPK2LCK
SCHEMBL10106406 0.71 RIPK2 (0.52) GAKRIPK2LCK
SCHEMBL10106405 0.71 RIPK2 (0.52) GAKRIPK2LCK
SCHEMBL17059485 0.71 RIPK2 (0.53) EGFRRIPK2BRAF
SCHEMBL2594532 0.68 GAK (0.52) EGFRGAKRIPK2COQ8ANLK
SCHEMBL2594988 0.67 GAK (0.48) EGFRGAKRIPK2COQ8ANLK
SCHEMBL12496271 0.66 RIPK2 (0.55) EGFRGAKRIPK2COQ8ANLK

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-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED 2013-02-28 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-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS ABL1, MAP3K2, MAP4K2 EGFR 473/4885GAK 162/4885RIPK2 326/4885

“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.