SCHEMBL2209891

SCHEMBL2209891

CN[C@@H](C)C(=O)Nc1ncc(-c2ccc(C)cc2C)n(CC(=O)N[C@@H]2CCCc3ccccc32)c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 6/20 0.53
ALDH1A1 P00352 5/20 0.50
LMNA P02545 4/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
TSHR P16473 3/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 2/20 0.44
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.43
POLB P06746 2/20 0.43
TP53 P04637 1/20 0.43
BIRC3 Q13489 2/20 0.43
BIRC2 Q13490 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL2210730 1.00 XIAP (0.53) XIAPALDH1A1LMNAKMT2AMEN1
SCHEMBL2212526 0.93 XIAP (0.52) XIAPALDH1A1LMNAKMT2AMEN1
SCHEMBL2214177 0.93 XIAP (0.52) XIAPALDH1A1LMNAKMT2AMEN1
SCHEMBL2209669 0.93 XIAP (0.56) XIAPALDH1A1LMNAKMT2AMEN1
SCHEMBL2209663 0.93 XIAP (0.56) XIAPALDH1A1LMNAKMT2AMEN1
SCHEMBL2213538 0.87 XIAP (0.58) XIAPALDH1A1KMT2ATSHRHPGD
SCHEMBL2213541 0.87 XIAP (0.58) XIAPALDH1A1KMT2ATSHRHPGD
SCHEMBL14174381 0.87 XIAP (0.58) XIAPALDH1A1KMT2ATSHRHPGD
SCHEMBL2214942 0.86 XIAP (0.60) XIAPALDH1A1KMT2ATSHRHPGD
SCHEMBL2214946 0.86 XIAP (0.60) XIAPALDH1A1KMT2ATSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048886-B2 Substituted pyrazine-3-one-derivatives as IAP inhibitors NOVARTIS AG (CH) 2011-11-01 US claimed
EP-2099769-B1 6-OXO.-1, 6-DIHYDROPYRIMIDIN-2-YLS IN THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-07-27 EP claimed
US-20100249405-A1 Organic Compounds NOVARTIS AG 2010-09-30 US claimed
EP-2099769-A1 6-OXO.-1, 6-DIHYDROPYRIMIDIN-2-YLS IN THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2009-09-16 EP claimed
WO-2008073305-A1 6-OXO.-1, 6-DIHYDROPYRIMIDIN-2-YLS IN THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2008-06-19 WO claimed
US-20110319614-A1 Organic Compounds NOVARTIS AG (CH) 2011-12-29 US disclosed
US-20110319614-A1 Organic Compounds NOVARTIS AG (CH) 2011-12-29 US disclosed
US-8048886-B2 Substituted pyrazine-3-one-derivatives as IAP inhibitors NOVARTIS AG (CH) 2011-11-01 US disclosed
US-8048886-B2 Substituted pyrazine-3-one-derivatives as IAP inhibitors NOVARTIS AG (CH) 2011-11-01 US disclosed
US-8048886-B2 Substituted pyrazine-3-one-derivatives as IAP inhibitors NOVARTIS AG (CH) 2011-11-01 US disclosed
EP-2099769-B1 6-OXO.-1, 6-DIHYDROPYRIMIDIN-2-YLS IN THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-07-27 EP disclosed
US-20100249405-A1 Organic Compounds NOVARTIS AG 2010-09-30 US disclosed
US-20100249405-A1 Organic Compounds NOVARTIS AG 2010-09-30 US disclosed
US-20100249405-A1 Organic Compounds NOVARTIS AG 2010-09-30 US disclosed
WO-2008073305-A1 6-OXO.-1, 6-DIHYDROPYRIMIDIN-2-YLS IN THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2008-06-19 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 (2 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-20110319614-A1 Organic Compounds XIAP, BIRC5, BIRC3 XIAP 1/4885ALDH1A1 3484/4885LMNA 1667/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 XIAP 1/4885ALDH1A1 3484/4885LMNA 1667/4885

“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.