SCHEMBL14907960

SCHEMBL14907960

NCCCNc1ccnc(Cl)n1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.68
STK17A Q9UEE5 3/20 0.61
HRH4 Q9H3N8 6/20 0.53
TLR8 Q9NR97 1/20 0.49
NUDT1 P36639 1/20 0.49
FERMT2 Q96AC1 2/20 0.46
IRAK4 Q9NWZ3 1/20 0.40
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
KARS1 Q15046 1/20 0.40
STK17B O94768 1/20 0.40
SYK P43405 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
SCHEMBL14621314 0.89 HRH3 (0.53) HRH3STK17AHRH4TLR8NUDT1
SCHEMBL11286031 0.83 NUDT1 (0.66) HRH3STK17AHRH4TLR8NUDT1
SCHEMBL14619916 0.83 TLR8 (0.66) HRH3STK17AHRH4TLR8NUDT1
SCHEMBL21003173 0.82 HRH4 (0.47) HRH3STK17AHRH4TLR8NUDT1
SCHEMBL596209 0.81 TLR8 (0.59) HRH3STK17AHRH4TLR8NUDT1
SCHEMBL4647318 0.80 HRH4 (0.48) HRH3STK17AHRH4TLR8NUDT1
SCHEMBL11278962 0.80 DNM2 (0.58) HRH3STK17AHRH4TLR8NUDT1
SCHEMBL12330669 0.79 HRH3 (0.55) HRH3HRH4TLR8NUDT1FERMT2
SCHEMBL32678687 0.79 HSD17B10 (0.50) HRH3STK17AHRH4TLR8NUDT1
SCHEMBL32678680 0.79 HSD17B10 (0.50) HRH3STK17AHRH4TLR8NUDT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 US disclosed
US-20140296204-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-02 US disclosed
WO-2013062945-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-05-02 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 (1 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-20140296204-A1 CHEMICAL COMPOUNDS DNMT1, DNMT3A, DNMT3B HRH3 4123/4885STK17A 2807/4885HRH4 4210/4885

“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.