SCHEMBL2212707

SCHEMBL2212707

CN[C@@H](C)C(=O)Nc1ncc(-c2ccc(F)cc2)n(CC(=O)N[C@@H]2CCCc3ccccc32)c1=O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
XIAP P98170 10/20 0.57
KMT2A Q03164 1/20 0.46
TSHR P16473 2/20 0.46
HPGD P15428 1/20 0.46
BIRC3 Q13489 4/20 0.44
BIRC2 Q13490 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
GPR139 Q6DWJ6 1/20 0.43
DHODH Q02127 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 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
SCHEMBL2358625 1.00 XIAP (0.57) XIAPKMT2ATSHRHPGDBIRC3
SCHEMBL14174381 0.94 XIAP (0.58) XIAPKMT2ATSHRHPGDBIRC3
SCHEMBL2213538 0.94 XIAP (0.58) XIAPKMT2ATSHRHPGDBIRC3
SCHEMBL2213541 0.94 XIAP (0.58) XIAPKMT2ATSHRHPGDBIRC3
SCHEMBL2212526 0.89 XIAP (0.52) XIAPKMT2ATSHRHPGDBIRC3
SCHEMBL2214177 0.89 XIAP (0.52) XIAPKMT2ATSHRHPGDBIRC3
SCHEMBL14174358 0.87 XIAP (0.51) XIAPKMT2ATSHRHPGDBIRC3
SCHEMBL2211611 0.87 XIAP (0.51) XIAPKMT2ATSHRHPGDBIRC3
SCHEMBL2211622 0.87 XIAP (0.51) XIAPKMT2ATSHRHPGDBIRC3
SCHEMBL2209669 0.87 XIAP (0.56) 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 14 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-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
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 4492/4885TSHR 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.