SCHEMBL2211136

SCHEMBL2211136

CN[C@@H](C)C(=O)Nc1cnc(-c2ccc(C)cc2C)n(CC(=O)N[C@@H]2CCCc3ccccc32)c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 6/20 0.57
KMT2A Q03164 4/20 0.52
LMNA P02545 4/20 0.52
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 2/20 0.52
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 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 2/20 0.45
MAPT P10636 1/20 0.44
DHODH Q02127 1/20 0.44
ATM Q13315 1/20 0.44
EPHX2 P34913 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
BIRC3 Q13489 2/20 0.43
BIRC2 Q13490 2/20 0.43

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
SCHEMBL14174413 1.00 XIAP (0.57) XIAPKMT2ALMNAALDH1A1MEN1
SCHEMBL2212327 1.00 XIAP (0.57) XIAPKMT2ALMNAALDH1A1MEN1
SCHEMBL2212427 0.93 XIAP (0.56) XIAPKMT2ALMNAALDH1A1MEN1
SCHEMBL2211160 0.93 XIAP (0.56) XIAPKMT2ALMNAALDH1A1MEN1
SCHEMBL14174382 0.93 XIAP (0.56) XIAPKMT2ALMNAALDH1A1MEN1
SCHEMBL2213354 0.93 XIAP (0.60) XIAPKMT2ALMNAALDH1A1MEN1
SCHEMBL2211937 0.93 XIAP (0.60) XIAPKMT2ALMNAALDH1A1MEN1
SCHEMBL2245299 0.90 XIAP (0.61) XIAPKMT2ALMNAALDH1A1MEN1
SCHEMBL2209958 0.88 XIAP (0.62) XIAPKMT2ALMNAALDH1A1MEN1
SCHEMBL2209986 0.88 XIAP (0.62) XIAPKMT2ALMNAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319614-A1 Organic Compounds NOVARTIS AG (CH) 2011-12-29 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

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 1/4885KMT2A 4492/4885LMNA 1667/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 XIAP 1/4885KMT2A 4492/4885LMNA 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.