SCHEMBL3943764

SCHEMBL3943764

Nc1ncnc2cn[c]nc12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 4/20 0.35
PI4K2B Q8TCG2 4/20 0.35
PI4K2A Q9BTU6 4/20 0.35
PI4KB Q9UBF8 4/20 0.35
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
ADORA2B P29275 1/20 0.34
MAP4K4 O95819 12/20 0.33
RET P07949 1/20 0.31
XDH P47989 1/20 0.31
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL30575925 0.68 EGFR (0.39) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL17362696 0.68 EGFR (0.39) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL3933569 0.68 PI4KA (0.39) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL3933701 0.68 PI4KA (0.42) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL6416647 0.67 EGFR (0.44) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL3942129 0.64 PI4KA (0.44) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL1884792 0.61
SCHEMBL3934420 0.61
SCHEMBL30194952 0.60 HASPIN (0.40) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL3931332 0.60 PI4KA (0.44) 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.