SCHEMBL868512

SCHEMBL868512

Clc1ncnc2c1c(Br)cn2CCN1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 2/20 0.39
METTL3 Q86U44 1/20 0.39
TLR7 Q9NYK1 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HRH3 Q9Y5N1 2/20 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
ALDH1A1 P00352 2/20 0.37
PDE10A Q9Y233 1/20 0.37
KDM4E B2RXH2 2/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
NR2F2 P24468 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35

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
SCHEMBL870030 0.84 METTL3 (0.52) ADKMETTL3TLR7SMN1; SMN2HRH3
SCHEMBL19731314 0.84 ADK (0.40) ADKTLR7SMN1; SMN2HRH3ABL1
SCHEMBL19731316 0.84 ADK (0.40) ADKTLR7SMN1; SMN2HRH3ALDH1A1
SCHEMBL29052179 0.77 ADK (0.41) ADKMEN1KMT2ANR2F2
SCHEMBL29781101 0.77 ADK (0.41) ADKMEN1KMT2ANR2F2
SCHEMBL20351786 0.77 FLT3 (0.48) SMN1; SMN2HRH3MEN1KMT2AALDH1A1
SCHEMBL868204 0.74 ADK (0.41) ADKMEN1KMT2AALDH1A1KDM4E
SCHEMBL868109 0.74 ADK (0.41) ADKMEN1KMT2ANR2F2MAPK1
SCHEMBL17406919 0.71 NR2F2 (0.53) TLR7SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL10261380 0.71 FLT3 (0.47) ADKMETTL3TLR7SMN1; SMN2HRH3

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 4319/4885TLR7 2829/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R ADK 1509/4885METTL3 4319/4885TLR7 2829/4885

“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.