SCHEMBL1662890

SCHEMBL1662890

O=C(O)N1CCC(c2nc(CC(F)(F)F)cn2CCOC2CCCCO2)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PLK1 P53350 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BRD4 O60885 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL1662349 0.89 THRB (0.36) PLK1
SCHEMBL1662694 0.85 MEN1 (0.39) MEN1KMT2APLK1KDM4CL3MBTL1
SCHEMBL9894087 0.85 MEN1 (0.39) MEN1KMT2APLK1KDM4CL3MBTL1
SCHEMBL1662709 0.83 RPS6KB1 (0.38) MEN1KMT2APLK1KDM4CL3MBTL1
SCHEMBL9894518 0.79 GPR119 (0.38) MEN1KMT2AL3MBTL1
SCHEMBL16457270 0.77 THRB (0.37) MEN1KMT2AKDM4CL3MBTL1
SCHEMBL16457318 0.77 HDAC4 (0.38) PLK1
SCHEMBL16457441 0.76 KDM4E (0.40) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL1664790 0.76 MEN1 (0.39) MEN1KMT2APLK1KDM4CL3MBTL1
SCHEMBL16459152 0.76 MAPT (0.38) MEN1KMT2A

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
EP-2491032-B1 AKT INHIBITORS LILLY CO ELI (US) 2014-04-16 EP disclosed
US-8436002-B2 AKT inhibitors ELI LILLY AND COMPANY (US) 2013-05-07 US disclosed
EP-2491032-A1 AKT INHIBITORS Eli Lilly and Company (US) 2012-08-29 EP disclosed
US-20120149684-A1 AKT INHIBITORS ELI LILLY AND COMPANY (US) 2012-06-14 US disclosed
WO-2011050016-A1 AKT INHIBITORS ELI LILLY AND COMPANY (US) 2011-04-28 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-20120149684-A1 AKT INHIBITORS AKT2, PIK3CA, AKT3 MEN1 1183/4885KMT2A 2685/4885PLK1 72/4885

“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.