SCHEMBL2209975

SCHEMBL2209975

CNC(C)C(=O)Nc1nccn(Cc2cncc(C(=O)c3ccc(F)cc3)c2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 10/20 0.37
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DYRK1A Q13627 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
THRB P10828 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL2209965 1.00 NTRK1 (0.37) NTRK1TP53RAB9ACNR1CNR2
SCHEMBL1324469 0.86 ALDH1A1 (0.47) RAB9AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL1324471 0.86 ALDH1A1 (0.47) RAB9AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL2211017 0.83 CHRNA7 (0.37) NTRK1DYRK1AHDAC3HDAC1HDAC2
SCHEMBL2211021 0.83 CHRNA7 (0.37) NTRK1DYRK1AHDAC3HDAC1HDAC2
SCHEMBL2208916 0.82 MAP4K1 (0.38) NTRK1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL2212460 0.82 MAP4K1 (0.38) NTRK1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL2211419 0.79 GRIN1 (0.35) NTRK1ALDH1A1RXFP1
SCHEMBL2209976 0.79 GRIN1 (0.35) NTRK1ALDH1A1RXFP1
SCHEMBL2210966 0.78 MAPT (0.34) NTRK1TP53THRB

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
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-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 (1 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-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 NTRK1 4189/4885TP53 23/4885RAB9A 2540/4885

“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.