SCHEMBL5471641

SCHEMBL5471641

CCOC(=O)Cn1c(C)cnc(NCCC2CCCN2C(=O)OC(C)(C)C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
F2 P00734 11/20 0.38
ALDH1A1 P00352 3/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CHEK2 O96017 1/20 0.36
PRSS1 P07477 3/20 0.36
PRSS2 P07478 3/20 0.36
PRSS3 P35030 3/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL5479621 0.97 ATM (0.39) ATMMEN1KMT2AF2ALDH1A1
SCHEMBL8292992 0.91 MEN1 (0.39) ATMMEN1KMT2AF2ALDH1A1
SCHEMBL5483406 0.87 ALOX5AP (0.39) ATMMEN1KMT2AF2ALDH1A1
SCHEMBL5484745 0.84 ATM (0.39) ATMF2ALOX5APFEN1CHEK2
SCHEMBL5479364 0.83 CHEK2 (0.39) ATMMEN1KMT2AF2ALOX5AP
SCHEMBL5481717 0.82 ATM (0.39) ATMMEN1KMT2AF2ALDH1A1
SCHEMBL7023932 0.81 PRMT5 (0.42) MEN1KMT2AF2ALDH1A1ALOX5AP
SCHEMBL7022729 0.81 PRMT5 (0.42) MEN1KMT2AF2ALDH1A1ALOX5AP
SCHEMBL7023114 0.81 PRMT5 (0.42) MEN1KMT2AF2ALDH1A1ALOX5AP
SCHEMBL5483612 0.77 ATM (0.39) ATMALDH1A1ALOX5APFEN1CHEK2

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-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-05-03 US disclosed
WO-2005040137-A1 AMINOALKYL-PYRAZINONES AND -PYRIDONES AS THROMBIN INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-05-06 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-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors F2, F12, SERPINC1 ATM 1490/4885MEN1 3103/4885KMT2A 3601/4885

“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.