SCHEMBL868932

SCHEMBL868932

CN(C)CCn1cc(Br)c2c(N)ncnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.42
ADK P55263 4/20 0.42
SRC P12931 7/20 0.41
FYN P06241 1/20 0.41
YES1 P07947 1/20 0.41
LYN P07948 1/20 0.41
FGR P09769 1/20 0.41
DYRK1A Q13627 1/20 0.40
ADCY5 O95622 1/20 0.39
LRRK2 Q5S007 2/20 0.38
ADORA2A P29274 4/20 0.38
ADORA2B P29275 4/20 0.38
ADORA1 P30542 4/20 0.38
LCK P06239 2/20 0.37
TEK Q02763 1/20 0.37
PIK3CD O00329 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
HCK P08631 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL10262517 0.84 SRC (0.44) FLT3ADKSRCFYNYES1
SCHEMBL868109 0.83 ADK (0.41) FLT3ADKSRCEGFR
SCHEMBL16236364 0.83 FLT3 (0.53) FLT3ADKSRCFYNYES1
SCHEMBL29052158 0.81 ADK (0.45) FLT3ADKSRCDYRK1ALRRK2
SCHEMBL29780909 0.81 ADK (0.45) FLT3ADKSRCDYRK1ALRRK2
SCHEMBL10198694 0.81 SRC (0.42) FLT3SRCFYNYES1LYN
SCHEMBL869273 0.80 SRC (0.46) FLT3ADKSRCDYRK1ALRRK2
SCHEMBL20351733 0.78 FLT3 (0.56) FLT3SRCFYNYES1LYN
SCHEMBL29052166 0.77 ADORA2A (0.50) FLT3ADKSRCFYNDYRK1A
SCHEMBL868722 0.77 ADK (0.46) FLT3ADKSRCDYRK1AADORA2A

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
US-8598156-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-12-03 US disclosed
CN-102917588-A Chemical compounds GLAXOSMITHKLINE LLC 2013-02-06 CN 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 FLT3 2923/4885ADK 1509/4885SRC 2497/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R FLT3 2923/4885ADK 1509/4885SRC 2497/4885

“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.