SCHEMBL2209956

SCHEMBL2209956

CCNC(=O)c1cccc(-c2cnc(NC(=O)[C@H](C)NC)c(=O)n2Cc2cc(C(=O)c3ccc(F)cc3)cc(N3CCOCC3)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.38
NTRK3 Q16288 2/20 0.38
NTRK2 Q16620 2/20 0.38
KDM1A O60341 1/20 0.37
HDAC1 Q13547 1/20 0.37
PIK3CA P42336 2/20 0.36
RAF1 P04049 7/20 0.35
BRAF P15056 7/20 0.35
HTR2C P28335 1/20 0.34
MCHR1 Q99705 1/20 0.34
MAPK14 Q16539 2/20 0.34
WNT3A P56704 1/20 0.34
JAK2 O60674 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
NAMPT P43490 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 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
SCHEMBL2212486 1.00 NTRK1 (0.38) NTRK1NTRK3NTRK2KDM1AHDAC1
SCHEMBL2213301 0.94 NTRK1 (0.38) NTRK1NTRK3NTRK2KDM1AHDAC1
SCHEMBL2213305 0.94 NTRK1 (0.38) NTRK1NTRK3NTRK2KDM1AHDAC1
SCHEMBL2210384 0.94 NTRK1 (0.38) NTRK1NTRK3NTRK2KDM1AHDAC1
SCHEMBL2210390 0.94 NTRK1 (0.38) NTRK1NTRK3NTRK2KDM1AHDAC1
SCHEMBL2212371 0.89 ALDH1A1 (0.44) NTRK1NTRK3NTRK2PIK3CARAF1
SCHEMBL2209748 0.89 ALDH1A1 (0.44) NTRK1NTRK3NTRK2PIK3CARAF1
SCHEMBL2211913 0.89 SCN9A (0.36)
SCHEMBL2210076 0.89 SCN9A (0.36)
SCHEMBL1323928 0.84 ALDH1A1 (0.38) NTRK1NTRK3NTRK2KDM1AHDAC1

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 14 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
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 NTRK1 4189/4885NTRK3 3740/4885NTRK2 4635/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 NTRK1 4189/4885NTRK3 3740/4885NTRK2 4635/4885

“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.