SCHEMBL2505698

SCHEMBL2505698

COC(=O)c1cccc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1NC1CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.42
ALDH1A1 P00352 6/20 0.42
HPGD P15428 3/20 0.41
ATR Q13535 1/20 0.39
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 4/20 0.38
AAK1 Q2M2I8 3/20 0.38
MEN1 O00255 2/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 1/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36

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
SCHEMBL2505700 1.00 KDM4E (0.42) KDM4EALDH1A1HPGDATRTSHR
SCHEMBL2506886 0.91 KMT2A (0.41) KDM4EALDH1A1KMT2AAAK1MEN1
SCHEMBL2503797 0.89 AAK1 (0.38) KDM4EALDH1A1KMT2AAAK1MEN1
SCHEMBL2508276 0.89 PKM (0.40) KDM4EALDH1A1KMT2AAAK1MEN1
SCHEMBL2503798 0.89 AAK1 (0.38) KDM4EALDH1A1KMT2AAAK1MEN1
SCHEMBL2508270 0.89 PKM (0.40) KDM4EALDH1A1KMT2AAAK1MEN1
SCHEMBL2507092 0.88 AAK1 (0.37) KDM4EKMT2AAAK1MEN1ATM
SCHEMBL2507095 0.88 AAK1 (0.37) KDM4EKMT2AAAK1MEN1ATM
SCHEMBL12222769 0.86 KMT2A (0.40) KDM4EALDH1A1KMT2AAAK1MEN1
SCHEMBL2504891 0.85 AAK1 (0.41) KDM4EALDH1A1KMT2AAAK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
EP-2552908-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2013-02-06 EP disclosed
WO-2011123751-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 WO disclosed
WO-2011123751-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 WO disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 US disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 US disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 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-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 KDM4E 1806/4885ALDH1A1 3905/4885HPGD 2389/4885

“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.