SCHEMBL2211298

SCHEMBL2211298

CCC(NC)C(=O)Nc1cnc(-c2ccc(F)cc2C)n(CC(=O)NC2CCCc3ccccc32)c1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XIAP P98170 2/20 0.48
TSHR P16473 3/20 0.42
LMNA P02545 4/20 0.42
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
GPR139 Q6DWJ6 1/20 0.40
DHODH Q02127 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39

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
SCHEMBL2209668 1.00 XIAP (0.48) XIAPTSHRLMNAALDH1A1KMT2A
SCHEMBL14174382 0.92 XIAP (0.56) XIAPTSHRLMNAALDH1A1KMT2A
SCHEMBL2211160 0.92 XIAP (0.56) XIAPTSHRLMNAALDH1A1KMT2A
SCHEMBL2212427 0.92 XIAP (0.56) XIAPTSHRLMNAALDH1A1KMT2A
SCHEMBL14174383 0.87 XIAP (0.44) XIAPTSHRLMNAALDH1A1KMT2A
SCHEMBL2210081 0.87 XIAP (0.44) XIAPTSHRLMNAALDH1A1KMT2A
SCHEMBL2213876 0.87 XIAP (0.44) XIAPTSHRLMNAALDH1A1KMT2A
SCHEMBL2211136 0.84 XIAP (0.57) XIAPTSHRLMNAALDH1A1KMT2A
SCHEMBL14174413 0.84 XIAP (0.57) XIAPTSHRLMNAALDH1A1KMT2A
SCHEMBL2212327 0.84 XIAP (0.57) XIAPTSHRLMNAALDH1A1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319614-A1 Organic Compounds NOVARTIS AG (CH) 2011-12-29 US 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-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 (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 4823/4885LMNA 1667/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 XIAP 1/4885TSHR 4823/4885LMNA 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.