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SCHEMBL2209563

SCHEMBL2209563

CN[C@@H](C)C(=O)Nc1cnc(-c2ccc3nonc3c2)n(Cc2cncc(C(=O)c3ccc(F)cc3)c2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 11/20 0.37
▸ CXCR2 P25025 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ P2RX3 P56373 1/20 0.32
▸ CFTR P13569 1/20 0.32

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
SCHEMBL2211280 0.92 ELANE (0.42) ELANEPSEN1PSEN2APH1BNCSTN
SCHEMBL2211274 0.92 ELANE (0.42) ELANEPSEN1PSEN2APH1BNCSTN
SCHEMBL1323060 0.90 CXCR2 (0.33) ELANECXCR2EGLN1CFTR
SCHEMBL12122063 0.90 CXCR2 (0.33) ELANECXCR2EGLN1CFTR
SCHEMBL2211062 0.87 POLB (0.39) ELANE
SCHEMBL2211066 0.87 POLB (0.39) ELANE
SCHEMBL2212600 0.86 CXCR2 (0.35) CXCR2EGLN1CFTR
SCHEMBL2213492 0.85 ELANE (0.36) ELANEPSEN1PSEN2APH1BNCSTN
SCHEMBL2211038 0.85 ELANE (0.36) ELANEPSEN1PSEN2APH1BNCSTN
SCHEMBL2211677 0.83 PSEN1 (0.36) ELANEPSEN1PSEN2APH1BNCSTN

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-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
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-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 ELANE 592/4885CXCR2 2230/4885EGLN1 1759/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 ELANE 592/4885CXCR2 2230/4885EGLN1 1759/4885

“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.