SCHEMBL2583934

SCHEMBL2583934

CNC(C)C(=O)Nc1cnc(-c2ccc(C#N)cc2)n(CC(=O)NC2CCCc3ccccc32)c1=O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XIAP P98170 11/20 0.57
DHODH Q02127 1/20 0.47
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 2/20 0.44
HPGD P15428 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
BIRC3 Q13489 4/20 0.43
BIRC2 Q13490 4/20 0.43
GPR139 Q6DWJ6 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
SCHEMBL2209871 1.00 XIAP (0.57) XIAPDHODHKMT2ALMNAALDH1A1
SCHEMBL2245299 0.93 XIAP (0.61) XIAPDHODHKMT2ALMNAALDH1A1
SCHEMBL2209958 0.92 XIAP (0.62) XIAPKMT2ALMNAALDH1A1TSHR
SCHEMBL18494245 0.92 XIAP (0.62) XIAPKMT2ALMNAALDH1A1TSHR
SCHEMBL2209986 0.92 XIAP (0.62) XIAPKMT2ALMNAALDH1A1TSHR
SCHEMBL2211890 0.91 XIAP (0.61) XIAPDHODHKMT2ALMNATSHR
SCHEMBL2212223 0.91 XIAP (0.61) XIAPDHODHKMT2ALMNATSHR
SCHEMBL14174384 0.89 DHODH (0.49) XIAPDHODHKMT2ALMNAALDH1A1
SCHEMBL2212272 0.86 XIAP (0.64) XIAPKMT2AALDH1A1TSHRHPGD
SCHEMBL2212263 0.86 XIAP (0.64) XIAPKMT2AALDH1A1TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319614-A1 Organic Compounds NOVARTIS AG (CH) 2011-12-29 US claimed
US-20100249405-A1 Organic Compounds NOVARTIS AG 2010-09-30 US claimed
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-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 1/4885DHODH 2710/4885KMT2A 4492/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 XIAP 1/4885DHODH 2710/4885KMT2A 4492/4885

“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.