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SCHEMBL2209538

SCHEMBL2209538

CNC(=O)c1ccc(C)c(-c2cnc(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 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 8/20 0.34
▸ CNR2 P34972 6/20 0.33
▸ CNR1 P21554 5/20 0.33
▸ XIAP P98170 1/20 0.32
▸ BIRC2 Q13490 1/20 0.32
▸ FEN1 P39748 2/20 0.32
▸ PTGER4 P35408 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ MAPK13 O15264 1/20 0.31
▸ LCK P06239 1/20 0.31
▸ MAPK12 P53778 1/20 0.31
▸ MAPK11 Q15759 1/20 0.31

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
SCHEMBL2209546 1.00 MAPK14 (0.34) MAPK14CNR2CNR1XIAPBIRC2
SCHEMBL2212293 0.94 MAPK14 (0.36) MAPK14XIAPBIRC2FEN1PTGER4
SCHEMBL2212289 0.94 MAPK14 (0.36) MAPK14XIAPBIRC2FEN1PTGER4
SCHEMBL2210177 0.90 KDM4E (0.34) MAPK14XIAPBIRC2PTGER4
SCHEMBL2210183 0.90 KDM4E (0.34) MAPK14XIAPBIRC2PTGER4
SCHEMBL2209603 0.88 WDR5 (0.34) MAPK14XIAPBIRC2CYP3A4MAPT
SCHEMBL2209609 0.88 WDR5 (0.34) MAPK14XIAPBIRC2CYP3A4MAPT
SCHEMBL2211901 0.88 PPARG (0.35) CNR2CNR1FEN1
SCHEMBL2211891 0.88 PPARG (0.35) CNR2CNR1FEN1
SCHEMBL1323963 0.88 MAPK14 (0.32) MAPK14CNR2CNR1XIAPFEN1

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-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
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.