Sugi Predict

Sugi Predict / Compounds / SCHEMBL2209907

SCHEMBL2209907

SCHEMBL2209907

CNC(=O)c1cccc(-c2ncc(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 2/20 0.36
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ KIT P10721 1/20 0.34
▸ ELANE P08246 4/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CCR3 P51677 1/20 0.33
▸ MCHR1 Q99705 2/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL2209899 1.00 SCN9A (0.36) SCN9APSEN1PSEN2APH1BNCSTN
SCHEMBL2206764 0.94 RAF1 (0.37) SCN9ANAMPTALDH1A1
SCHEMBL2206755 0.94 RAF1 (0.37) SCN9ANAMPTALDH1A1
SCHEMBL2212130 0.90 WDR5 (0.34) SCN9ATP53MAPTMCHR1HTR2C
SCHEMBL2212137 0.90 WDR5 (0.34) SCN9ATP53MAPTMCHR1HTR2C
SCHEMBL1323830 0.89 CCR3 (0.36) SCN9AKITELANELMNATP53
SCHEMBL1323828 0.89 CCR3 (0.36) SCN9AKITELANELMNATP53
SCHEMBL2209720 0.88 MCHR1 (0.32) SCN9APSEN1PSEN2APH1BNCSTN
SCHEMBL2209728 0.88 MCHR1 (0.32) SCN9APSEN1PSEN2APH1BNCSTN
SCHEMBL2211459 0.87 ELANE (0.38) PSEN1PSEN2APH1BNCSTNAPH1A

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 SCN9A 4075/4885PSEN1 75/4885PSEN2 148/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 SCN9A 4075/4885PSEN1 75/4885PSEN2 148/4885

“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.