SCHEMBL2212369

SCHEMBL2212369

CNC(=O)c1cccc(-c2ncc(NC(=O)C(C)NC)c(=O)n2CC(=O)NC2CCCc3ccccc32)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XIAP P98170 8/20 0.55
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.45
CFD P00746 2/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 1/20 0.43
DHODH Q02127 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
BIRC3 Q13489 4/20 0.42
BIRC2 Q13490 4/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2211785 1.00 XIAP (0.55) XIAPLMNAKMT2ACFDTSHR
SCHEMBL2210668 0.92 XIAP (0.54) XIAPLMNAKMT2ATSHRHPGD
SCHEMBL2210675 0.92 XIAP (0.54) XIAPLMNAKMT2ATSHRHPGD
SCHEMBL18494245 0.91 XIAP (0.62) XIAPLMNAKMT2ATSHRHPGD
SCHEMBL2209986 0.91 XIAP (0.62) XIAPLMNAKMT2ATSHRHPGD
SCHEMBL2209958 0.91 XIAP (0.62) XIAPLMNAKMT2ATSHRHPGD
SCHEMBL2245299 0.88 XIAP (0.61) XIAPLMNAKMT2ATSHRHPGD
SCHEMBL2215444 0.88 XIAP (0.55) XIAPLMNAKMT2ATSHRHPGD
SCHEMBL2211338 0.88 XIAP (0.55) XIAPLMNAKMT2ATSHRHPGD
SCHEMBL2211890 0.86 XIAP (0.61) XIAPLMNAKMT2ATSHRHPGD

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 6 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
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

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