SCHEMBL869273

SCHEMBL869273

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.46
PIK3CD O00329 2/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CB P42338 2/20 0.42
PIK3CG P48736 2/20 0.42
PRKDC P78527 2/20 0.42
ADK P55263 4/20 0.42
ADORA2A P29274 5/20 0.42
ADORA2B P29275 5/20 0.42
ADORA1 P30542 5/20 0.42
ADORA3 P0DMS8 3/20 0.42
DYRK1A Q13627 2/20 0.40
DYRK3 O43781 1/20 0.39
ROCK2 O75116 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
PHKG2 P15735 1/20 0.39
PRKACA P17612 1/20 0.39
RPS6KB1 P23443 1/20 0.39
MARK3 P27448 1/20 0.39

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
SCHEMBL29052166 0.85 ADORA2A (0.50) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29781064 0.85 ADORA2A (0.50) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14643788 0.84 SRC (0.47) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL10198695 0.83 SRC (0.49) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL868204 0.83 ADK (0.41) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29052158 0.81 ADK (0.45) SRCADKADORA2AADORA2BADORA1
SCHEMBL29780909 0.81 ADK (0.45) SRCADKADORA2AADORA2BADORA1
SCHEMBL868932 0.80 FLT3 (0.42) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL870102 0.77 PIK3CD (0.51) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL868722 0.77 ADK (0.46) SRCPIK3CDPIK3CAPIK3CBPIK3CG

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 SRC 2497/4885PIK3CD 725/4885PIK3CA 459/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R SRC 2497/4885PIK3CD 725/4885PIK3CA 459/4885

“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.