SCHEMBL2209970

SCHEMBL2209970

CNC(C)C(=O)Nc1ncc(-c2ccc(F)cc2)n(CC(=O)NCc2ccc(F)cc2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F7 P08709 5/20 0.49
CES2 O00748 1/20 0.47
F2 P00734 3/20 0.46
F3 P13726 2/20 0.46
TP53 P04637 4/20 0.44
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 2/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ELANE P08246 1/20 0.40

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
SCHEMBL2209964 1.00 F7 (0.49) F7CES2F2F3TP53
SCHEMBL3846281 0.84 ELANE (0.50) F7CES2F3KDM4EALDH1A1
SCHEMBL3846277 0.84 ELANE (0.50) F7CES2F3KDM4EALDH1A1
SCHEMBL3832817 0.83 TRPV1 (0.40) F7F2F3ELANE
SCHEMBL2213292 0.83 ELANE (0.54) CES2KDM4EALDH1A1ELANE
SCHEMBL2211272 0.83 ELANE (0.54) CES2KDM4EALDH1A1ELANE
SCHEMBL2211912 0.83 ELANE (0.43) TP53ELANE
SCHEMBL2212238 0.81 MAPT (0.37) TP53SMN1; SMN2KDM4EMAPTELANE
SCHEMBL2212228 0.81 MAPT (0.37) TP53SMN1; SMN2KDM4EMAPTELANE
SCHEMBL4774566 0.81 CES2 (0.46) F7CES2F3TP53NPC1

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 9 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
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 F7 4776/4885CES2 2764/4885F2 4184/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 F7 4776/4885CES2 2764/4885F2 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.