SCHEMBL2212263

SCHEMBL2212263

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

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
XIAP P98170 13/20 0.64
TSHR P16473 2/20 0.51
HPGD P15428 1/20 0.51
BIRC3 Q13489 5/20 0.50
BIRC2 Q13490 5/20 0.50
KMT2A Q03164 1/20 0.49
GPR139 Q6DWJ6 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL2212272 1.00 XIAP (0.64) XIAPTSHRHPGDBIRC3BIRC2
SCHEMBL18494245 0.91 XIAP (0.62) XIAPTSHRHPGDBIRC3BIRC2
SCHEMBL2209958 0.91 XIAP (0.62) XIAPTSHRHPGDBIRC3BIRC2
SCHEMBL2209986 0.91 XIAP (0.62) XIAPTSHRHPGDBIRC3BIRC2
SCHEMBL2245299 0.90 XIAP (0.61) XIAPTSHRHPGDBIRC3BIRC2
SCHEMBL2213354 0.90 XIAP (0.60) XIAPTSHRHPGDBIRC3BIRC2
SCHEMBL2211937 0.90 XIAP (0.60) XIAPTSHRHPGDBIRC3BIRC2
SCHEMBL2212223 0.88 XIAP (0.61) XIAPTSHRHPGDBIRC3BIRC2
SCHEMBL2211890 0.88 XIAP (0.61) XIAPTSHRHPGDBIRC3BIRC2
SCHEMBL2211136 0.87 XIAP (0.57) XIAPTSHRHPGDBIRC3BIRC2

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-20110319614-A1 Organic Compounds NOVARTIS AG (CH) 2011-12-29 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 1/4885TSHR 4823/4885HPGD 2286/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 XIAP 1/4885TSHR 4823/4885HPGD 2286/4885

“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.