SCHEMBL2212600

SCHEMBL2212600

CN[C@@H](C)C(=O)Nc1ncc(-c2ccc3nonc3c2)n(Cc2cncc(C(=O)c3ccc(F)cc3)c2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.35
CHRNA7 P36544 3/20 0.33
EGLN1 Q9GZT9 1/20 0.32
MAPT P10636 1/20 0.32
CFTR P13569 1/20 0.32
NTRK1 P04629 2/20 0.31
XIAP P98170 1/20 0.31
BIRC2 Q13490 1/20 0.31
CNR2 P34972 1/20 0.31
PTPN11 Q06124 1/20 0.31
DYRK1A Q13627 1/20 0.30

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
SCHEMBL2211017 0.91 CHRNA7 (0.37) CHRNA7NTRK1DYRK1A
SCHEMBL2211021 0.91 CHRNA7 (0.37) CHRNA7NTRK1DYRK1A
SCHEMBL12122063 0.89 CXCR2 (0.33) CXCR2EGLN1CFTRNTRK1CNR2
SCHEMBL1323060 0.89 CXCR2 (0.33) CXCR2EGLN1CFTRNTRK1CNR2
SCHEMBL2209340 0.86 MAPT (0.39) MAPTDYRK1A
SCHEMBL2209334 0.86 MAPT (0.39) MAPTDYRK1A
SCHEMBL2209563 0.86 ELANE (0.37) CXCR2EGLN1CFTR
SCHEMBL2207246 0.85 FEN1 (0.36) NTRK1
SCHEMBL2207252 0.85 FEN1 (0.36) NTRK1
SCHEMBL2209710 0.84 BRAF (0.37)

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 12 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-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
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

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 CXCR2 2230/4885CHRNA7 4733/4885EGLN1 1759/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 CXCR2 2230/4885CHRNA7 4733/4885EGLN1 1759/4885

“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.