SCHEMBL18327488

SCHEMBL18327488

c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ncccn5)c4)nc(-c4cccc(-c5ncccn5)c4)n3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.48
DYRK1A Q13627 1/20 0.48
GP6 Q9HCN6 1/20 0.47
NPC1 O15118 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMO O15229 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
CYP2A6 P11509 1/20 0.42
NISCH Q9Y2I1 1/20 0.42

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
SCHEMBL21982136 1.00 CLK4 (0.48) CLK4DYRK1AGP6NPC1NFKB1
SCHEMBL18327459 0.96 MEN1 (0.47) CLK4DYRK1AGP6NPC1NFKB1
SCHEMBL19075008 0.96 MEN1 (0.47) CLK4DYRK1AGP6NPC1NFKB1
SCHEMBL17720980 0.96 MEN1 (0.47) CLK4DYRK1AGP6NPC1NFKB1
SCHEMBL18327356 0.94 MEN1 (0.48) CLK4DYRK1AGP6NPC1NFKB1
SCHEMBL19039933 0.94 MEN1 (0.48) CLK4DYRK1AGP6NPC1NFKB1
SCHEMBL18327332 0.94 CLK4 (0.50) CLK4DYRK1ANPC1NFKB1RAB9A
SCHEMBL9697154 0.94 CLK4 (0.53) CLK4DYRK1AGP6NPC1NFKB1
SCHEMBL12386975 0.93 MEN1 (0.44) CLK4DYRK1AGP6NPC1NFKB1
SCHEMBL19009562 0.90 MEN1 (0.56) CLK4DYRK1AGP6SMN1; SMN2KMO

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9812652-B2 Cyclic azine compound having adamantyl group, production method, and organic electroluminescent device containing it as constituent component TOSOH CORPORATION (JP) 2017-11-07 US disclosed
US-20160372678-A1 CYCLIC AZINE COMPOUND HAVING ADAMANTYL GROUP, PRODUCTION METHOD, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING IT AS CONSTITUENT COMPONENT TOSOH CORPORATION (JP) 2016-12-22 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-20160372678-A1 CYCLIC AZINE COMPOUND HAVING ADAMANTYL GROUP, PRODUCTION METHOD, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING IT AS CONSTITUENT COMPONENT CHRM1, AFF1, AZI2 CLK4 4016/4885DYRK1A 3556/4885GP6 2485/4885

“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.