SCHEMBL14907682

SCHEMBL14907682

NCCCNC(=O)NCc1ccnc2[nH]ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.43
BTK Q06187 2/20 0.42
NEK1 Q96PY6 1/20 0.41
IKBKB O14920 2/20 0.40
CHUK O15111 2/20 0.40
ROCK1 Q13464 1/20 0.40
NUDT1 P36639 2/20 0.40
FES P07332 1/20 0.39
RET P07949 1/20 0.39
MARK3 P27448 1/20 0.39
TYK2 P29597 1/20 0.39
FLT4 P35916 1/20 0.39
SYK P43405 1/20 0.39
CLK2 P49760 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
AKT2 P31751 1/20 0.38
KLKB1 P03952 1/20 0.38
PRKCI P41743 3/20 0.38
AXL P30530 1/20 0.37
CIT O14578 5/20 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
SCHEMBL14907656 0.92 AKT1 (0.49) AKT1NEK1IKBKBCHUKROCK1
SCHEMBL14907651 0.85 AKT1 (0.38) AKT1NEK1IKBKBCHUKROCK1
SCHEMBL14907679 0.84 CYP3A4 (0.44) AKT1NEK1IKBKBCHUKROCK1
SCHEMBL14907691 0.84 IKBKB (0.45) AKT1NEK1IKBKBCHUKNUDT1
SCHEMBL14907662 0.82 NUDT1 (0.44) AKT1BTKNEK1IKBKBCHUK
SCHEMBL14907989 0.81 AKT1 (0.38) AKT1BTKNEK1IKBKBCHUK
SCHEMBL14907654 0.81 JAK2 (0.42) NUDT1TYK2KLKB1
SCHEMBL14894455 0.79 BTK (0.40) BTKNEK1IKBKBCHUKROCK1
SCHEMBL14894147 0.79 BTK (0.38) AKT1BTKNEK1NUDT1FES
SCHEMBL14907683 0.78 JAK1 (0.43) BTKNEK1NUDT1TYK2KLKB1

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 AKT1 887/4885BTK 418/4885NEK1 2279/4885

“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.