SCHEMBL870030

SCHEMBL870030

Nc1ncnc2c1c(Br)cn2CCN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 5/20 0.52
FLT3 P36888 2/20 0.44
ADK P55263 4/20 0.40
MET P08581 1/20 0.40
AXL P30530 1/20 0.40
TLR7 Q9NYK1 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL868512 0.84 ADK (0.39) METTL3FLT3ADKTLR7SMN1; SMN2
SCHEMBL10261380 0.84 FLT3 (0.47) METTL3FLT3ADKMETAXL
SCHEMBL6927366 0.81 FLT3 (0.45) METTL3FLT3METAXLTLR7
SCHEMBL20351665 0.79 FLT3 (0.58) FLT3METAXLABL1MEN1
SCHEMBL29780909 0.77 ADK (0.45) METTL3FLT3ADKABL1
SCHEMBL29052158 0.77 ADK (0.45) METTL3FLT3ADKABL1
SCHEMBL3957869 0.74 ADORA2A (0.60) TLR7SMN1; SMN2
SCHEMBL869273 0.74 SRC (0.46) FLT3ADKABL1
SCHEMBL868932 0.74 FLT3 (0.42) FLT3ADKABL1
SCHEMBL28972374 0.74 FLT3 (0.72) FLT3METAXL

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 METTL3 4319/4885FLT3 2923/4885ADK 1509/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R METTL3 4319/4885FLT3 2923/4885ADK 1509/4885

“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.