SCHEMBL2209986

SCHEMBL2209986

CNC(C)C(=O)Nc1cnc(-c2ccccc2)n(CC(=O)NC2CCCc3ccccc32)c1=O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XIAP P98170 10/20 0.62
KMT2A Q03164 3/20 0.49
TSHR P16473 2/20 0.48
HPGD P15428 1/20 0.48
BIRC3 Q13489 5/20 0.46
BIRC2 Q13490 5/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ELANE P08246 1/20 0.46
GPR139 Q6DWJ6 1/20 0.46
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL18494245 1.00 XIAP (0.62) XIAPKMT2ATSHRHPGDBIRC3
SCHEMBL2209958 1.00 XIAP (0.62) XIAPKMT2ATSHRHPGDBIRC3
SCHEMBL2245299 0.96 XIAP (0.61) XIAPKMT2ATSHRHPGDBIRC3
SCHEMBL2212223 0.94 XIAP (0.61) XIAPKMT2ATSHRHPGDBIRC3
SCHEMBL2211890 0.94 XIAP (0.61) XIAPKMT2ATSHRHPGDBIRC3
SCHEMBL2583934 0.92 XIAP (0.57) XIAPKMT2ATSHRHPGDBIRC3
SCHEMBL2209871 0.92 XIAP (0.57) XIAPKMT2ATSHRHPGDBIRC3
SCHEMBL2212272 0.91 XIAP (0.64) XIAPKMT2ATSHRHPGDBIRC3
SCHEMBL2212263 0.91 XIAP (0.64) XIAPKMT2ATSHRHPGDBIRC3
SCHEMBL2213354 0.91 XIAP (0.60) XIAPKMT2ATSHRHPGDBIRC3

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 7 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
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 1/4885KMT2A 4492/4885TSHR 4823/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 XIAP 1/4885KMT2A 4492/4885TSHR 4823/4885

“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.