SCHEMBL2211912

SCHEMBL2211912

CN[C@@H](C)C(=O)Nc1ncc(-c2ccc(F)cc2)n(CC(=O)NC(Cc2ccccc2)Cc2ccccc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.43
CMA1 P23946 14/20 0.42
CTRC Q99895 2/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL12513720 0.91 CMA1 (0.42) ELANECMA1CTRCTP53
SCHEMBL14174418 0.88 TP53 (0.44) ELANECMA1CTRCTP53
SCHEMBL3832817 0.86 TRPV1 (0.40) ELANECMA1CTRC
SCHEMBL2211805 0.85 ELANE (0.58) ELANECMA1
SCHEMBL2209970 0.83 F7 (0.49) ELANETP53
SCHEMBL2209964 0.83 F7 (0.49) ELANETP53
SCHEMBL2209218 0.82 TP53 (0.39) ELANECMA1TP53
SCHEMBL2209223 0.82 TP53 (0.39) ELANECMA1TP53
SCHEMBL3832813 0.80 CA12 (0.38) ELANETP53
SCHEMBL2213960 0.80 CMA1 (0.46) ELANECMA1CTRC

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 10 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-20110319614-A1 Organic Compounds NOVARTIS AG (CH) 2011-12-29 US disclosed
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-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
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 ELANE 592/4885CMA1 852/4885CTRC 2753/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 ELANE 592/4885CMA1 852/4885CTRC 2753/4885

“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.