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Sugi Predict / Compounds / SCHEMBL2212657

SCHEMBL2212657

SCHEMBL2212657

CNC(=O)c1cccc(-c2ncc(NC(=O)[C@H](C)NC)c(=O)n2Cc2cc(C(=O)c3ccc(F)cc3)cc(C(C)C)c2)c1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 6/20 0.36
▸ CNR2 P34972 6/20 0.33
▸ CNR1 P21554 5/20 0.33
▸ USP1 O94782 1/20 0.33
▸ P2RX3 P56373 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ ELANE P08246 3/20 0.32
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 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
SCHEMBL2212659 1.00 PPARG (0.36) PPARGCNR2CNR1USP1P2RX3
SCHEMBL2212529 0.94 PSEN1 (0.36) PPARGCNR2CNR1USP1P2RX3
SCHEMBL2212521 0.94 PSEN1 (0.36) PPARGCNR2CNR1USP1P2RX3
SCHEMBL2210167 0.90 KDM4E (0.40) PPARGELANE
SCHEMBL2213976 0.90 KDM4E (0.40) PPARGELANE
SCHEMBL1323852 0.89 PPARG (0.36) PPARGBRD4
SCHEMBL1323853 0.89 PPARG (0.36) PPARGBRD4
SCHEMBL2209720 0.89 MCHR1 (0.32) PPARGCNR2CNR1BRD4PSEN1
SCHEMBL2209728 0.89 MCHR1 (0.32) PPARGCNR2CNR1BRD4PSEN1
SCHEMBL2211289 0.88 MAPK14 (0.34) CNR2CNR1P2RX3

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 PPARG 4210/4885CNR2 4833/4885CNR1 4641/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 PPARG 4210/4885CNR2 4833/4885CNR1 4641/4885

“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.