Sugi Predict

Sugi Predict / Compounds / SCHEMBL2211913

SCHEMBL2211913

SCHEMBL2211913

CNC(=O)c1cccc(-c2cnc(NC(=O)C(C)NC)c(=O)n2Cc2cc(C(=O)c3ccc(F)cc3)cc(N3CCCC3)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.36
▸ KIT P10721 1/20 0.34
▸ BMPR1B O00238 1/20 0.33
▸ ACVRL1 P37023 1/20 0.33
▸ ACVR1 Q04771 1/20 0.33
▸ CCR3 P51677 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ TP53 P04637 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 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
SCHEMBL2210076 1.00 SCN9A (0.36) SCN9AKITBMPR1BACVRL1ACVR1
SCHEMBL2210390 0.94 NTRK1 (0.38) SCN9ABMPR1BACVRL1ACVR1
SCHEMBL2210384 0.94 NTRK1 (0.38) SCN9ABMPR1BACVRL1ACVR1
SCHEMBL14174350 0.93 SCN9A (0.34) SCN9AKITBMPR1BACVRL1ACVR1
SCHEMBL2209603 0.89 WDR5 (0.34) SCN9ANPC1RAB9ATP53MAPT
SCHEMBL2209609 0.89 WDR5 (0.34) SCN9ANPC1RAB9ATP53MAPT
SCHEMBL2212486 0.89 NTRK1 (0.38) —
SCHEMBL2209956 0.89 NTRK1 (0.38) —
SCHEMBL1323828 0.89 CCR3 (0.36) SCN9AKITCCR3FEN1NPC1
SCHEMBL1323830 0.89 CCR3 (0.36) SCN9AKITCCR3FEN1NPC1

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-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
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 SCN9A 4075/4885KIT 1453/4885BMPR1B 1830/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 SCN9A 4075/4885KIT 1453/4885BMPR1B 1830/4885

“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.