SCHEMBL2210973

SCHEMBL2210973

CNC(C)C(=O)Nc1ncc(-c2cnccc2OC)n(Cc2cncc(C(=O)c3ccc(F)cc3)c2)c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
THRB P10828 1/20 0.34
NTRK1 P04629 3/20 0.34
GRIN2B Q13224 3/20 0.33
KCNH2 Q12809 3/20 0.33
CDK9 P50750 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
TP53 P04637 2/20 0.32
TUBB4A P04350 2/20 0.32
TUBB P07437 2/20 0.32
TUBA3C P0DPH7 2/20 0.32
TUBA1B P68363 2/20 0.32
TUBA4A P68366 2/20 0.32
TUBB4B P68371 2/20 0.32
TUBB3 Q13509 2/20 0.32
TUBB2A Q13885 2/20 0.32
TUBB8 Q3ZCM7 2/20 0.32
TUBA3E Q6PEY2 2/20 0.32
TUBA1A Q71U36 2/20 0.32
TUBA1C Q9BQE3 2/20 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
SCHEMBL2210966 1.00 MAPT (0.34) MAPTTHRBNTRK1GRIN2BKCNH2
SCHEMBL1323912 0.89 MAPT (0.35) MAPTTHRBNTRK1GRIN2BKCNH2
SCHEMBL12122061 0.89 MAPT (0.35) MAPTTHRBNTRK1GRIN2BKCNH2
SCHEMBL2211021 0.88 CHRNA7 (0.37) NTRK1GRIN2BGRIN1
SCHEMBL2211017 0.88 CHRNA7 (0.37) NTRK1GRIN2BGRIN1
SCHEMBL2209976 0.85 GRIN1 (0.35) MAPTNTRK1GRIN2BGRIN1XIAP
SCHEMBL2211419 0.85 GRIN1 (0.35) MAPTNTRK1GRIN2BGRIN1XIAP
SCHEMBL2207246 0.82 FEN1 (0.36) NTRK1GRIN2BGRIN1
SCHEMBL2207252 0.82 FEN1 (0.36) NTRK1GRIN2BGRIN1
SCHEMBL2209710 0.81 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 9 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-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 MAPT 520/4885THRB 3342/4885NTRK1 4189/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 MAPT 520/4885THRB 3342/4885NTRK1 4189/4885

“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.