Sugi Predict

Sugi Predict / Compounds / SCHEMBL2207246

SCHEMBL2207246

SCHEMBL2207246

CNC(=O)c1cccc(-c2cnc(NC(=O)[C@H](C)NC)c(=O)n2Cc2cncc(C(=O)c3ccc(F)cc3)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FEN1 P39748 1/20 0.36
▸ FYN P06241 5/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ FGFR1 P11362 2/20 0.34
▸ FGFR3 P22607 2/20 0.34
▸ GRIN1 Q05586 3/20 0.33
▸ GRIN2B Q13224 3/20 0.33
▸ CCR3 P51677 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ KIT P10721 2/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ ABL1 P00519 2/20 0.32
▸ BCR P11274 2/20 0.32
▸ PRKAA2 P54646 1/20 0.32
▸ PIK3CA P42336 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
SCHEMBL2207252 1.00 FEN1 (0.36) FEN1FYNSCN9AFGFR1FGFR3
SCHEMBL2211017 0.90 CHRNA7 (0.37) FYNGRIN1GRIN2BNTRK1
SCHEMBL2211021 0.90 CHRNA7 (0.37) FYNGRIN1GRIN2BNTRK1
SCHEMBL2209716 0.89 BRAF (0.37) FEN1FYN
SCHEMBL2209710 0.89 BRAF (0.37) FEN1FYN
SCHEMBL1323934 0.89 ELANE (0.35) FEN1FYNSCN9ACCR3JAK2
SCHEMBL12122045 0.89 ELANE (0.35) FEN1FYNSCN9ACCR3JAK2
SCHEMBL1323932 0.89 ELANE (0.35) FEN1FYNSCN9ACCR3JAK2
SCHEMBL2210810 0.89 KDM4E (0.36) FEN1FYNSCN9AKDRKIT
SCHEMBL2211913 0.87 SCN9A (0.36) FEN1FYNSCN9AFGFR1FGFR3

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 13 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
CN-101535273-A 6-oxo.-1, 6-dihydropyrimidin-2-yls in the treatment of proliferative diseases NOVARTIS AG (CH) 2009-09-16 — — CN 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 FEN1 1723/4885FYN 4493/4885SCN9A 4075/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 FEN1 1723/4885FYN 4493/4885SCN9A 4075/4885

“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.