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SCHEMBL2209792

SCHEMBL2209792

CNC(=O)c1ccc(C)c(-c2ncc(NC(=O)[C@H](C)NC)c(=O)n2Cc2cc(F)cc(C(=O)c3ccc(F)cc3)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 7/20 0.36
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36
▸ APH1B Q8WW43 1/20 0.36
▸ NCSTN Q92542 1/20 0.36
▸ APH1A Q96BI3 1/20 0.36
▸ PSENEN Q9NZ42 1/20 0.36
▸ P2RX3 P56373 6/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ ELANE P08246 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL2209797 1.00 MAPK14 (0.36) MAPK14PSEN1PSEN2APH1BNCSTN
SCHEMBL2211289 0.93 MAPK14 (0.34) MAPK14P2RX3CYP3A4PKMALDH1A1
SCHEMBL2210663 0.93 MAPK14 (0.34) MAPK14P2RX3CYP3A4PKMALDH1A1
SCHEMBL2210254 0.92 KDM4E (0.35) MAPK14P2RX3CYP3A4ELANEKDM4E
SCHEMBL2210261 0.92 KDM4E (0.35) MAPK14P2RX3CYP3A4ELANEKDM4E
SCHEMBL2212137 0.90 WDR5 (0.34) MAPK14CYP3A4ALDH1A1HPGDKDM4E
SCHEMBL2212130 0.90 WDR5 (0.34) MAPK14CYP3A4ALDH1A1HPGDKDM4E
SCHEMBL1322833 0.88 MAPK14 (0.33) MAPK14CYP3A4PTGER4
SCHEMBL1322829 0.88 MAPK14 (0.33) MAPK14CYP3A4PTGER4
SCHEMBL2212521 0.87 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319614-A1 Organic Compounds NOVARTIS AG (CH) 2011-12-29 — — 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
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
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 MAPK14 3632/4885PSEN1 75/4885PSEN2 148/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 MAPK14 3632/4885PSEN1 75/4885PSEN2 148/4885

“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.