SCHEMBL14907989

SCHEMBL14907989

NCCCCNC(=S)NCc1ccnc2[nH]ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.38
IKBKB O14920 3/20 0.37
CHUK O15111 3/20 0.37
ROCK1 Q13464 2/20 0.37
PRKCI P41743 2/20 0.36
AXL P30530 1/20 0.36
SSTR2 P30874 1/20 0.36
SSTR4 P31391 1/20 0.36
NEK1 Q96PY6 1/20 0.36
HRH4 Q9H3N8 3/20 0.35
BTK Q06187 2/20 0.34
HRH2 P25021 2/20 0.34
NUDT1 P36639 3/20 0.34
KLKB1 P03952 1/20 0.34
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
CSF1R P07333 1/20 0.33

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
SCHEMBL14907651 0.96 AKT1 (0.38) AKT1IKBKBCHUKROCK1PRKCI
SCHEMBL14907663 0.91 AKT1 (0.44) AKT1IKBKBCHUKROCK1PRKCI
SCHEMBL14894411 0.82 CIT (0.39) NEK1BTK
SCHEMBL14907682 0.81 AKT1 (0.43) AKT1IKBKBCHUKROCK1PRKCI
SCHEMBL14907843 0.81 IKBKB (0.40) AKT1IKBKBCHUKROCK1PRKCI
SCHEMBL14894013 0.80 PRKCI (0.36) PRKCIAXLSSTR4NEK1HRH4
SCHEMBL14907982 0.80 CYP3A4 (0.42) NUDT1KLKB1JAK2JAK3DYRK1A
SCHEMBL14907902 0.79 LMNA (0.39) IKBKBCHUKROCK1PRKCIAXL
SCHEMBL14894258 0.79 JAK2 (0.40) IKBKBCHUKROCK1PRKCIAXL
SCHEMBL14893837 0.78 SIRT5 (0.36) PRKCIAXLNEK1HRH4HRH2

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 5 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-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
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.