SCHEMBL2209223

SCHEMBL2209223

CNC(C)C(=O)Nc1ncc(-c2ccc(F)cc2)n(CC(=O)N(CCc2ccccc2)CCc2ccccc2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.39
MAPT P10636 2/20 0.39
F2 P00734 3/20 0.38
F7 P08709 3/20 0.38
F3 P13726 3/20 0.38
LMNA P02545 1/20 0.37
ELANE P08246 3/20 0.36
BIRC2 Q13490 1/20 0.35
MMP2 P08253 1/20 0.35
EP300 Q09472 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GLA P06280 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 2/20 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
SCHEMBL2209218 1.00 TP53 (0.39) TP53MAPTF2F7F3
SCHEMBL3832813 0.96 CA12 (0.38) TP53MAPTF2F7F3
SCHEMBL2358520 0.85 ELANE (0.42) ELANECASP1
SCHEMBL3852283 0.85 ELANE (0.42) ELANECASP1
SCHEMBL2212579 0.85 ELANE (0.49) ELANE
SCHEMBL2212581 0.85 ELANE (0.49) ELANE
SCHEMBL4777094 0.83 CA12 (0.34) TP53MAPTLMNABIRC2MMP2
SCHEMBL2211912 0.82 ELANE (0.43) TP53ELANECMA1
SCHEMBL3832817 0.79 TRPV1 (0.40) F2F7F3LMNAELANE
SCHEMBL2209970 0.79 F7 (0.49) TP53MAPTF2F7F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8048886-B2 Substituted pyrazine-3-one-derivatives as IAP inhibitors NOVARTIS AG (CH) 2011-11-01 US 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 TP53 23/4885MAPT 520/4885F2 4184/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 TP53 23/4885MAPT 520/4885F2 4184/4885

“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.