SCHEMBL869590

SCHEMBL869590

CN1CC(n2cc(Br)c3c(N)ncnc32)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 5/20 0.53
METTL3 Q86U44 7/20 0.46
SRC P12931 5/20 0.45
ABL1 P00519 4/20 0.45
DAPK3 O43293 1/20 0.45
MAP4K4 O95819 1/20 0.45
PAK4 O96013 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
CSF1R P07333 1/20 0.45
RET P07949 1/20 0.45
IGF1R P08069 1/20 0.45
FGFR1 P11362 1/20 0.45
PRKACA P17612 1/20 0.45
FLT1 P17948 1/20 0.45
LTK P29376 1/20 0.45
KDR P35968 1/20 0.45
MAP2K2 P36507 1/20 0.45
FLT3 P36888 1/20 0.45
MAPK8 P45983 1/20 0.45

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
SCHEMBL17085734 0.86 ADK (0.51) ADKMETTL3SRCABL1DAPK3
SCHEMBL18640804 0.85 SRC (0.59) ADKMETTL3SRCABL1DAPK3
SCHEMBL14643787 0.84 ADK (0.52) ADKSRCABL1DAPK3MAP4K4
SCHEMBL24650664 0.83 MTOR (0.54) ADKSRCABL1DAPK3MAP4K4
SCHEMBL25612151 0.82 SRC (0.61) ADKSRCABL1DAPK3MAP4K4
SCHEMBL23854926 0.82 SRC (0.59) ADKSRCABL1DAPK3MAP4K4
SCHEMBL23854924 0.82 SRC (0.59) ADKSRCABL1DAPK3MAP4K4
SCHEMBL16769984 0.82 RET (0.58) ADKMETTL3SRCABL1DAPK3
SCHEMBL29780883 0.82 RET (0.58) ADKMETTL3SRCABL1DAPK3
SCHEMBL10198690 0.82 SRC (0.47) SRCABL1DAPK3MAP4K4PAK4

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 ADK 1509/4885METTL3 4319/4885SRC 2497/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R ADK 1509/4885METTL3 4319/4885SRC 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.