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SCHEMBL2210663

SCHEMBL2210663

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 7/20 0.34
▸ CNR2 P34972 6/20 0.34
▸ CNR1 P21554 5/20 0.34
▸ P2RX3 P56373 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 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
SCHEMBL2211289 1.00 MAPK14 (0.34) MAPK14CNR2CNR1P2RX3CYP3A4
SCHEMBL2209792 0.93 MAPK14 (0.36) MAPK14P2RX3CYP3A4PKMALDH1A1
SCHEMBL2209797 0.93 MAPK14 (0.36) MAPK14P2RX3CYP3A4PKMALDH1A1
SCHEMBL2210261 0.90 KDM4E (0.35) MAPK14P2RX3CYP3A4
SCHEMBL2210254 0.90 KDM4E (0.35) MAPK14P2RX3CYP3A4
SCHEMBL1323960 0.88 MAPK14 (0.32) MAPK14CNR2CNR1POLB
SCHEMBL1323963 0.88 MAPK14 (0.32) MAPK14CNR2CNR1POLB
SCHEMBL2212137 0.88 WDR5 (0.34) MAPK14CYP3A4ALDH1A1HPGD
SCHEMBL2212130 0.88 WDR5 (0.34) MAPK14CYP3A4ALDH1A1HPGD
SCHEMBL2212657 0.88 PPARG (0.36) 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 MAPK14 3632/4885CNR2 4833/4885CNR1 4641/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 MAPK14 3632/4885CNR2 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.