SCHEMBL2433686

SCHEMBL2433686

c1ncc2[nH]cc(C3CCOCC3)c2n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 12/20 0.39
IRAK2 O43187 1/20 0.37
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
IRAK1 P51617 1/20 0.37
HASPIN Q8TF76 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
IRAK3 Q9Y616 1/20 0.37
HTR1D P28221 3/20 0.35
HTR1B P28222 3/20 0.35
HTR1F P30939 3/20 0.35
HTR1A P08908 1/20 0.35
PDE10A Q9Y233 1/20 0.33
RPS6KA3 P51812 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL23536638 0.76 PDE10A (0.42) HTR1DHTR1BHTR1FHTR1APDE10A
SCHEMBL2467357 0.73 HSD11B1 (0.44) IRAK4RPS6KA3CYP2D6
SCHEMBL19972617 0.69 GPR119 (0.47) HTR1DHTR1BHTR1FHTR1APDE10A
SCHEMBL30451058 0.66 DAO (0.37) IRAK4IRAK2CLK1CLK2IRAK1
SCHEMBL26912470 0.66 PRKDC (0.47) HTR1DHTR1BHTR1FHTR1AJAK2
SCHEMBL31164574 0.64 JAK2 (0.41) IRAK4IRAK2CLK1CLK2IRAK1
SCHEMBL28103741 0.64 GRM4 (0.36)
SCHEMBL2619212 0.64 PIM1 (0.34)
SCHEMBL4067918 0.64 MAPK1 (0.41) HASPIN
SCHEMBL8820853 0.64 AURKA (0.34)

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-9227967-B2 Inhibitor compounds of semicarbazide-sensitive amine oxidases PROXIMAGEN LIMITED (GB) 2016-01-05 US disclosed
US-9227967-B2 Inhibitor compounds of semicarbazide-sensitive amine oxidases PROXIMAGEN LIMITED (GB) 2016-01-05 US disclosed
US-9227967-B2 Inhibitor compounds of semicarbazide-sensitive amine oxidases PROXIMAGEN LIMITED (GB) 2016-01-05 US disclosed
EP-2927233-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE Proximagen Limited (GB) 2015-10-07 EP disclosed
EP-2927233-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE Proximagen Limited (GB) 2015-10-07 EP disclosed
EP-2547677-B1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE PROXIMAGEN LTD (GB) 2015-05-06 EP disclosed
EP-2547677-B1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE PROXIMAGEN LTD (GB) 2015-05-06 EP disclosed
US-20130102587-A1 New Enzyme Inhibitor Compounds PROXIMAGEN LIMITED (GB) 2013-04-25 US disclosed
US-20130102587-A1 New Enzyme Inhibitor Compounds PROXIMAGEN LIMITED (GB) 2013-04-25 US disclosed
US-20130102587-A1 New Enzyme Inhibitor Compounds PROXIMAGEN LIMITED (GB) 2013-04-25 US disclosed
EP-2547677-A2 INHIBITORS OF SEMICARABAZIDE - SENSITIVE AMINE OXIDASE Proximagen Limited (GB) 2013-01-23 EP disclosed
WO-2011113798-A2 NEW ENZYME INHIBITOR COMPOUNDS PROXIMAGEN LIMITED (GB) 2011-09-22 WO 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-20130102587-A1 New Enzyme Inhibitor Compounds SERPINB1, SSB, NFKBIA IRAK4 3200/4885IRAK2 3020/4885CLK1 3700/4885

“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.