SCHEMBL14907656

SCHEMBL14907656

NCCNC(=O)NCc1ccnc2[nH]ccc12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.49
IKBKB O14920 2/20 0.46
CHUK O15111 2/20 0.46
ROCK1 Q13464 1/20 0.46
NEK1 Q96PY6 2/20 0.45
NUDT1 P36639 4/20 0.43
PRKCI P41743 1/20 0.41
CIT O14578 8/20 0.40
AKT2 P31751 1/20 0.39
KLKB1 P03952 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
SCHEMBL14907682 0.92 AKT1 (0.43) AKT1IKBKBCHUKROCK1NEK1
SCHEMBL14907691 0.86 IKBKB (0.45) AKT1IKBKBCHUKNEK1NUDT1
SCHEMBL14907662 0.85 NUDT1 (0.44) AKT1IKBKBCHUKROCK1NEK1
SCHEMBL14907663 0.84 AKT1 (0.44) AKT1IKBKBCHUKROCK1NEK1
SCHEMBL14907679 0.81 CYP3A4 (0.44) AKT1IKBKBCHUKROCK1NEK1
SCHEMBL14907683 0.80 JAK1 (0.43) NEK1NUDT1KLKB1
SCHEMBL14907692 0.78 IKBKB (0.42) AKT1IKBKBCHUKROCK1NEK1
SCHEMBL14907646 0.78 ROCK2 (0.43) AKT1ROCK1NUDT1PRKCICIT
SCHEMBL14907654 0.78 JAK2 (0.42) NUDT1KLKB1
SCHEMBL14894355 0.77 PLD2 (0.39) IKBKBCHUKROCK1NEK1NUDT1

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 887/4885IKBKB 465/4885CHUK 500/4885

“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.