SCHEMBL2208679

SCHEMBL2208679

CN[C@@H](C)C(=O)Nc1ncc(-c2ccc(F)cc2)n(C(=O)CN(C)C2CCCc3ccccc32)c1=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XIAP P98170 13/20 0.42
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.35
BIRC3 Q13489 4/20 0.35
BIRC2 Q13490 4/20 0.35
XBP1 P17861 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL2208674 1.00 XIAP (0.42) XIAPALDH1A1LMNAMAPK1RAB9A
SCHEMBL2208682 1.00 XIAP (0.42) XIAPALDH1A1LMNAMAPK1RAB9A
SCHEMBL2214986 0.88 XIAP (0.40) XIAPALDH1A1LMNAMAPK1RAB9A
SCHEMBL2214983 0.88 XIAP (0.40) XIAPALDH1A1LMNAMAPK1RAB9A
SCHEMBL2209581 0.88 XIAP (0.40) XIAPALDH1A1LMNAMAPK1RAB9A
SCHEMBL2210258 0.85 XIAP (0.43) XIAPALDH1A1RAB9ABIRC3BIRC2
SCHEMBL2212540 0.85 XIAP (0.43) XIAPALDH1A1RAB9ABIRC3BIRC2
SCHEMBL2212538 0.85 XIAP (0.43) XIAPALDH1A1RAB9ABIRC3BIRC2
SCHEMBL2210912 0.84 MEN1 (0.43) XIAPALDH1A1LMNAMAPK1RAB9A
SCHEMBL2210909 0.84 MEN1 (0.43) XIAPALDH1A1LMNAMAPK1RAB9A

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 3 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
US-20100249405-A1 Organic Compounds NOVARTIS AG 2010-09-30 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 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 (1 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-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 XIAP 1/4885ALDH1A1 3484/4885LMNA 1667/4885

“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.