SCHEMBL10165038

SCHEMBL10165038

CC(C)(C)OC(=O)NCc1ccnc(N2CCOCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.50
KLKB1 P03952 2/20 0.47
KLK1 P06870 1/20 0.47
AKT1 P31749 1/20 0.45
TBK1 Q9UHD2 1/20 0.44
SLC40A1 Q9NP59 1/20 0.43
RAF1 P04049 2/20 0.42
BRAF P15056 2/20 0.42
BRD4 O60885 2/20 0.42
SLC8A1 P32418 1/20 0.42
MAPK13 O15264 1/20 0.41
PRMT5 O14744 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
GSK3B P49841 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PRKDC P78527 1/20 0.41

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
SCHEMBL13007739 0.80 SMN1; SMN2 (0.53) BRD4MEN1KMT2AKDM4ELMNA
SCHEMBL2041789 0.79 PIK3CA (0.57) PIK3CAKLKB1KLK1AKT1SLC40A1
SCHEMBL10165033 0.79 HDAC3 (0.43) AKT1RAF1BRAFMEN1KMT2A
SCHEMBL16784886 0.77 AOC3 (0.50) AKT1BRAFBRD4
SCHEMBL16784888 0.77 AOC3 (0.59) BRD4
SCHEMBL26995425 0.77 BRD4 (0.44) PIK3CAAKT1BRD4KDM4ELMNA
SCHEMBL31506021 0.77 BRD4 (0.44) PIK3CAAKT1BRD4KDM4ELMNA
SCHEMBL30831543 0.77 BRD4 (0.44) PIK3CAAKT1BRD4KDM4ELMNA
SCHEMBL12298707 0.77 SMN1; SMN2 (0.50) BRD4MEN1KMT2AKDM4ELMNA
SCHEMBL10154083 0.77 PIK3CA (0.50) PIK3CAKLKB1KLK1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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 (4 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 PIK3CA 3066/4885KLKB1 1267/4885KLK1 1451/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 PIK3CA 3066/4885KLKB1 1267/4885KLK1 1451/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PIK3CA 3066/4885KLKB1 1267/4885KLK1 1451/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PIK3CA 3066/4885KLKB1 1267/4885KLK1 1451/4885

“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.