SCHEMBL3931332

SCHEMBL3931332

Nc1ncnc2c[c]ncc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 4/20 0.44
PI4K2B Q8TCG2 4/20 0.44
PI4K2A Q9BTU6 4/20 0.44
PI4KB Q9UBF8 4/20 0.44
MAP4K4 O95819 15/20 0.39
RET P07949 2/20 0.38
LRRK2 Q5S007 2/20 0.38
XDH P47989 1/20 0.38
IP6K1 Q92551 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
CSF1R P07333 1/20 0.33
IGF1R P08069 1/20 0.33
MET P08581 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
SCHEMBL3942129 0.84 PI4KA (0.44) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL29418929 0.69 MAP4K4 (0.56) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL2847252 0.69 MAP4K4 (0.56) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL478773 0.68 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL6942722 0.67 EGFR (0.53) PI4KAPI4K2BPI4K2API4KB
SCHEMBL29656231 0.67 EGFR (0.53) PI4KAPI4K2BPI4K2API4KB
SCHEMBL4053083 0.67 EGFR (0.43)
SCHEMBL4870134 0.65 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL29650477 0.65 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL2000322 0.64 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306062-A1 2,5-Disubstituted Piperidines NOVARTIS AG (CH) 2009-12-10 US claimed
EP-2044059-A1 2,5-DISUBSTITUTED PIPERIDINES Speedel Experimenta AG (CH) 2009-04-08 EP claimed
WO-2007141318-A1 2,5-DISUBSTITUTED PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2007-12-13 WO claimed
US-20090306062-A1 2,5-Disubstituted Piperidines NOVARTIS AG (CH) 2009-12-10 US disclosed
EP-2044059-A1 2,5-DISUBSTITUTED PIPERIDINES Speedel Experimenta AG (CH) 2009-04-08 EP disclosed
WO-2007141318-A1 2,5-DISUBSTITUTED PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2007-12-13 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-20090306062-A1 2,5-Disubstituted Piperidines REN, AGTR1, AGTR2 PI4KA 2716/4885PI4K2B 3006/4885PI4K2A 2823/4885

“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.