SCHEMBL328270

SCHEMBL328270

C=C1OB(c2ccc3c(c2)CNC3=O)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DAPK3 O43293 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ GRM5 P41594 4/20 0.36
▸ PRF1 P14222 7/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ MKNK1 Q9BUB5 3/20 0.33
▸ TBK1 Q9UHD2 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.32
▸ PRKCI P41743 1/20 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
SCHEMBL12646193 0.90 CLK4 (0.39) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL12845835 0.82 PDE3B (0.33) —
SCHEMBL274197 0.81 ROCK1 (0.43) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL13348258 0.80 PPOX (0.37) GSK3BGRM5
SCHEMBL12049915 0.76 AHR (0.42) —
SCHEMBL14792947 0.75 PDE3B (0.39) CA9
SCHEMBL12094128 0.75 NPC1 (0.31) —
SCHEMBL10224843 0.74 PBRM1 (0.39) —
SCHEMBL14114009 0.73 EIF2AK2 (0.44) —
SCHEMBL12650554 0.73 — —

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-8178530-B2 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-05-15 — — US disclosed
US-8133895-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-13 — — US disclosed
US-20110092497-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA NV 2011-04-21 — — US disclosed
US-7902189-B2 antitumor agent, anticarcinogenic agents; 7-Chloro-2-((2S,6R)-2,6-dimethyl-morpholin-4-yl)-4-morpholin-4-yl-pyrido[2,3-d]pyrimidine; inhibitors of mTOR kinase ASTRAZENECA AB (SE) 2011-03-08 — — US disclosed
US-7659268-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-02-09 — — US disclosed
US-20090131446-A1 Fused pyrazine compounds useful for the treatment of degenerative and inflmmatory diseases GALAPAGOS, N.V. (BE) 2009-05-21 — — US disclosed
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2008-08-14 — — US disclosed
US-20080081809-A1 Novel Compounds KUDOS PHARMACEUTICALS LIMITED (GB) 2008-04-03 — — US disclosed
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis VERTEX PHARMACEUTICALS INCORPORATED 2008-01-24 — — 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 (5 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-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis CFTR, ABCC8, ABCB1 DAPK3 3778/4885NTRK1 4688/4885PIM1 3632/4885
US-20090131446-A1 Fused pyrazine compounds useful for the treatment of degenerative and inflmmatory diseases NOD1, TNF, NOD2 DAPK3 616/4885NTRK1 4284/4885PIM1 211/4885
US-20110092497-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IKZF3, IRAK2, IRAK1 DAPK3 222/4885NTRK1 1132/4885PIM1 775/4885
US-20080081809-A1 Novel Compounds SLC10A1, ABCB11, PKD1 DAPK3 2806/4885NTRK1 4638/4885PIM1 1377/4885
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors RPS6KB1, RPS6KA1, RPS3A DAPK3 2950/4885NTRK1 790/4885PIM1 2999/4885

“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.

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