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Sugi Predict / Compounds / SCHEMBL2212137

SCHEMBL2212137

SCHEMBL2212137

CNC(=O)c1ccc(C)c(-c2ncc(NC(=O)C(C)NC)c(=O)n2Cc2cc(C(=O)c3ccc(F)cc3)cc(N3CCCC3)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 2/20 0.34
▸ MAPK14 Q16539 7/20 0.34
▸ CACNA1G O43497 2/20 0.34
▸ HTR2C P28335 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TP53 P04637 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ SMO Q99835 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL2212130 1.00 WDR5 (0.34) WDR5MAPK14CACNA1GHTR2CMCHR1
SCHEMBL2213765 0.93 CACNA1G (0.36) WDR5MAPK14CACNA1GHTR2CMCHR1
SCHEMBL2213757 0.93 CACNA1G (0.36) WDR5MAPK14CACNA1GHTR2CMCHR1
SCHEMBL2209797 0.90 MAPK14 (0.36) MAPK14CYP3A4KDM4EALDH1A1HPGD
SCHEMBL2209792 0.90 MAPK14 (0.36) MAPK14CYP3A4KDM4EALDH1A1HPGD
SCHEMBL2209907 0.90 SCN9A (0.36) HTR2CMCHR1TP53MAPTNPC1
SCHEMBL2209899 0.90 SCN9A (0.36) HTR2CMCHR1TP53MAPTNPC1
SCHEMBL1323888 0.89 WDR5 (0.34) WDR5MAPK14CACNA1GTP53MAPT
SCHEMBL1323886 0.89 WDR5 (0.34) WDR5MAPK14CACNA1GTP53MAPT
SCHEMBL2209720 0.89 MCHR1 (0.32) HTR2CMCHR1TP53MAPTNPC1

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 9 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-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 WDR5 3397/4885MAPK14 3632/4885CACNA1G 4410/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 WDR5 3397/4885MAPK14 3632/4885CACNA1G 4410/4885

“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.