SCHEMBL2209716

SCHEMBL2209716

CNC(C)C(=O)Nc1ncc(-c2cccc(NC(C)=O)c2)n(Cc2cncc(C(=O)c3ccc(F)cc3)c2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.37
ERCC5 P28715 2/20 0.37
FEN1 P39748 1/20 0.37
FYN P06241 16/20 0.37
MCHR1 Q99705 1/20 0.35

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
SCHEMBL2209710 1.00 BRAF (0.37) BRAFERCC5FEN1FYNMCHR1
SCHEMBL2211021 0.89 CHRNA7 (0.37) FYN
SCHEMBL2211017 0.89 CHRNA7 (0.37) FYN
SCHEMBL1324437 0.89 BRAF (0.36) BRAFERCC5FEN1FYNMCHR1
SCHEMBL1324440 0.89 BRAF (0.36) BRAFERCC5FEN1FYNMCHR1
SCHEMBL12122020 0.89 BRAF (0.36) BRAFERCC5FEN1FYNMCHR1
SCHEMBL2207246 0.89 FEN1 (0.36) FEN1FYN
SCHEMBL2207252 0.89 FEN1 (0.36) FEN1FYN
SCHEMBL2212600 0.84 CXCR2 (0.35)
SCHEMBL2209976 0.84 GRIN1 (0.35)

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 10 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
CN-101535273-A 6-oxo.-1, 6-dihydropyrimidin-2-yls in the treatment of proliferative diseases NOVARTIS AG (CH) 2009-09-16 CN 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 BRAF 1504/4885ERCC5 732/4885FEN1 1723/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 BRAF 1504/4885ERCC5 732/4885FEN1 1723/4885

“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.