SCHEMBL14907668

SCHEMBL14907668

O=C(C#Cc1ccccc1)NCCNC(=S)NCc1ccnc2[nH]ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 5/20 0.37
PLD2 O14939 1/20 0.36
PLD1 Q13393 1/20 0.36
CIT O14578 1/20 0.36
CDK5 Q00535 2/20 0.35
ROCK1 Q13464 2/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
IGF1R P08069 1/20 0.35
FGFR1 P11362 1/20 0.35
PRKACA P17612 1/20 0.35
FLT1 P17948 1/20 0.35
LTK P29376 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
SCHEMBL14894032 0.97 VCP (0.36) VCPPLD2PLD1CITCDK5
SCHEMBL14894069 0.93 VCP (0.37) VCPCITCDK5ROCK1IKBKB
SCHEMBL14894188 0.90 KLKB1 (0.37) VCPCITNUDT1BTKNEK1
SCHEMBL14894077 0.90 AKT1 (0.37) VCPJAK2NUDT1NEK1
SCHEMBL14894335 0.90 MET (0.35) VCPPLD2PLD1JAK2JAK3
SCHEMBL14894355 0.90 PLD2 (0.39) VCPPLD2PLD1CITCDK5
SCHEMBL14894458 0.89 VCP (0.38) VCPROCK1JAK2JAK3
SCHEMBL14894239 0.89 ALOX12 (0.42) VCPCITROCK1JAK2MAP4K4
SCHEMBL14893965 0.88 VCP (0.35) VCPCITROCK1PRKD3MAP4K4
SCHEMBL14894012 0.88 CIT (0.40) CITJAK2JAK3NUDT1

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 VCP 4187/4885PLD2 2037/4885PLD1 1875/4885

“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.