SCHEMBL12113205

SCHEMBL12113205

CCOc1ccc(N)c(OC=O)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
ALDH1A1 P00352 5/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 2/20 0.35
MAPK8 P45983 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL10187308 0.83 ALDH1A1 (0.41) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL21582525 0.80 MAPT (0.39) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL30271360 0.74 ALDH1A1 (0.35) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL2955940 0.73 ALDH1A1 (0.42) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL12113611 0.72 ALDH1A1 (0.41) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL11823900 0.70 ALDH1A1 (0.40) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL12520557 0.70 ALDH1A1 (0.40) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL17753601 0.70
SCHEMBL11803401 0.70 KDM4E (0.41) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL1318082 0.69 MAPT (0.50) ALDH1A1MAPTMAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 US 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-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF NOS1, NOS2, ASS1 PIK3CD 2441/4885PIK3CA 2760/4885PIK3CB 2893/4885

“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.