SCHEMBL2209205

SCHEMBL2209205

CNC(C)C(=O)Nc1ncc(-c2ccc(F)cc2)n(CCOC2Cc3ccccc3C2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XIAP P98170 12/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GLA P06280 1/20 0.36
LMNA P02545 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
GRM7 Q14831 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
SCHEMBL2209197 1.00 XIAP (0.38) XIAPSMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL2211147 0.84 ELANE (0.43)
SCHEMBL2211151 0.84 ELANE (0.43)
SCHEMBL2209204 0.80 LMNA (0.39) XIAPSMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL2209196 0.80 LMNA (0.39) XIAPSMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL2316268 0.79 XIAP (0.40) XIAP
SCHEMBL2316263 0.79 XIAP (0.40) XIAP
SCHEMBL2209581 0.78 XIAP (0.40) XIAPMAPK1RAB9ALMNAMAPT
SCHEMBL2214986 0.78 XIAP (0.40) XIAPMAPK1RAB9ALMNAMAPT
SCHEMBL2214983 0.78 XIAP (0.40) XIAPMAPK1RAB9ALMNAMAPT

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 6 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
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

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 1/4885SMN1; SMN2 1479/4885MAPK1 3032/4885

“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.