SCHEMBL2211338

SCHEMBL2211338

CN[C@@H](C)C(=O)Nc1cnc(-c2cccc(C(F)(F)F)c2)n(CC(=O)N[C@@H]2CCCc3ccccc32)c1=O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XIAP P98170 7/20 0.55
ELANE P08246 5/20 0.44
KMT2A Q03164 2/20 0.43
DHODH Q02127 1/20 0.42
TSHR P16473 2/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
BIRC3 Q13489 3/20 0.41
BIRC2 Q13490 3/20 0.41
POLB P06746 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
SCHEMBL2215444 1.00 XIAP (0.55) XIAPELANEKMT2ADHODHTSHR
SCHEMBL2209986 0.90 XIAP (0.62) XIAPELANEKMT2ATSHRHPGD
SCHEMBL18494245 0.90 XIAP (0.62) XIAPELANEKMT2ATSHRHPGD
SCHEMBL2209958 0.90 XIAP (0.62) XIAPELANEKMT2ATSHRHPGD
SCHEMBL2211785 0.88 XIAP (0.55) XIAPKMT2ADHODHTSHRHPGD
SCHEMBL2212369 0.88 XIAP (0.55) XIAPKMT2ADHODHTSHRHPGD
SCHEMBL2245299 0.88 XIAP (0.61) XIAPKMT2ADHODHTSHRHPGD
SCHEMBL2211890 0.87 XIAP (0.61) XIAPELANEKMT2ADHODHTSHR
SCHEMBL2212223 0.87 XIAP (0.61) XIAPELANEKMT2ADHODHTSHR
SCHEMBL2210668 0.87 XIAP (0.54) XIAPKMT2ADHODHTSHRHPGD

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 15 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
WO-2008073305-A1 6-OXO.-1, 6-DIHYDROPYRIMIDIN-2-YLS IN THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2008-06-19 WO 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 1/4885ELANE 592/4885KMT2A 4492/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 XIAP 1/4885ELANE 592/4885KMT2A 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.