SCHEMBL2210906

SCHEMBL2210906

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.42
XBP1 P17861 1/20 0.42
HTT P42858 1/20 0.42
XIAP P98170 11/20 0.42
RAB9A P51151 1/20 0.39
BIRC3 Q13489 4/20 0.35
BIRC2 Q13490 4/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL2210912 1.00 MEN1 (0.43) MEN1KMT2AALDH1A1XBP1HTT
SCHEMBL2210909 1.00 MEN1 (0.43) MEN1KMT2AALDH1A1XBP1HTT
SCHEMBL2214986 0.88 XIAP (0.40) ALDH1A1XBP1HTTXIAPRAB9A
SCHEMBL2214983 0.88 XIAP (0.40) ALDH1A1XBP1HTTXIAPRAB9A
SCHEMBL2209581 0.88 XIAP (0.40) ALDH1A1XBP1HTTXIAPRAB9A
SCHEMBL2212677 0.87 XIAP (0.45) MEN1KMT2AALDH1A1XBP1HTT
SCHEMBL2212463 0.87 XIAP (0.45) MEN1KMT2AALDH1A1XBP1HTT
SCHEMBL2212678 0.87 XIAP (0.45) MEN1KMT2AALDH1A1XBP1HTT
SCHEMBL2358625 0.85 XIAP (0.57) KMT2AALDH1A1XIAPBIRC3BIRC2
SCHEMBL2212707 0.85 XIAP (0.57) KMT2AALDH1A1XIAPBIRC3BIRC2

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-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-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 MEN1 2072/4885KMT2A 4492/4885ALDH1A1 3484/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 MEN1 2072/4885KMT2A 4492/4885ALDH1A1 3484/4885

“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.