SCHEMBL868508

SCHEMBL868508

Nc1nccc2scc(-c3ccc4c(c3)CCN4)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.58
AURKA O14965 5/20 0.58
AURKB Q96GD4 5/20 0.58
EPHB4 P54760 1/20 0.56
EIF2AK3 Q9NZJ5 2/20 0.49
EIF2AK1 Q9BQI3 1/20 0.49
ROCK2 O75116 4/20 0.43
RPS6KA5 O75582 4/20 0.43
MAP4K4 O95819 4/20 0.43
LCK P06239 4/20 0.43
LYN P07948 4/20 0.43
RET P07949 4/20 0.43
FGFR1 P11362 4/20 0.43
FLT1 P17948 4/20 0.43
RPS6KB1 P23443 4/20 0.43
AXL P30530 4/20 0.43
FLT3 P36888 4/20 0.43
FRK P42685 4/20 0.43
CSNK1A1 P48729 4/20 0.43
CSNK1D P48730 4/20 0.43

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
SCHEMBL868249 0.76 EIF2AK3 (0.46) KDREPHB4EIF2AK3
SCHEMBL14033752 0.75 EPHB4 (0.62) KDRAURKBEPHB4EIF2AK3EIF2AK1
Hydrochloric Acid SCHEMBL869114 0.75 EIF2AK3 (0.45) KDREPHB4EIF2AK3
SCHEMBL31060331 0.74 KDR (1.00) KDRAURKAAURKBEPHB4ROCK2
SCHEMBL3531281 0.74 KDR (1.00) KDRAURKAAURKBEPHB4ROCK2
SCHEMBL3529631 0.74 KDR (0.59) KDRAURKAAURKBEPHB4ROCK2
SCHEMBL28803622 0.72 KDR (0.79) KDRAURKAAURKBEPHB4ROCK2
SCHEMBL4471357 0.72 EPHB4 (1.00) KDRAURKAAURKBEPHB4EIF2AK3
SCHEMBL17165793 0.72 KDR (0.77) KDRAURKAAURKBEPHB4ROCK2
SCHEMBL3530681 0.72 KDR (0.59) KDRAURKAAURKBEPHB4ROCK2

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
EP-2549868-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-01-07 EP disclosed
CN-102917588-B Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-10-08 CN disclosed
US-8598156-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-12-03 US disclosed
EP-2549868-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2013-01-30 EP disclosed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 US disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 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 (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-20130018038-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R KDR 3297/4885AURKA 2503/4885AURKB 2752/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R KDR 3297/4885AURKA 2503/4885AURKB 2752/4885

“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.