SCHEMBL18327587

SCHEMBL18327587

c1cnc(-c2cccc(-c3ncncn3)c2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 3/20 0.52
DYRK1A Q13627 1/20 0.52
CYP2A6 P11509 1/20 0.50
ADRB2 P07550 1/20 0.42
CYP19A1 P11511 5/20 0.38
PIK3CD O00329 1/20 0.37
PIP5K1C O60331 1/20 0.37
PI4KA P42356 1/20 0.37
PIK3CG P48736 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
KAT6A Q92794 1/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DHFR P00374 1/20 0.35
GP6 Q9HCN6 1/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 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
SCHEMBL4761792 0.93 CLK4 (0.42) CLK4DYRK1ACYP2A6PIK3CGHSD17B1
SCHEMBL18327633 0.92 CLK4 (0.46) CLK4DYRK1ACYP2A6ADRB2CYP19A1
SCHEMBL18327346 0.88 CYP2A6 (0.44) CLK4DYRK1ACYP2A6ADRB2CYP19A1
SCHEMBL14961829 0.88 CLK4 (0.61) CLK4DYRK1ACYP2A6ADRB2CYP19A1
SCHEMBL18327454 0.85 NOTUM (0.48) CLK4DYRK1ACYP19A1
SCHEMBL18327464 0.85 CYP2A6 (0.50) CLK4DYRK1ACYP2A6KAT6AL3MBTL1
SCHEMBL18327628 0.84 CLK4 (0.50) CLK4DYRK1ACYP2A6ADRB2CYP19A1
SCHEMBL21081879 0.84 GP6 (0.48) CYP19A1GP6NPC1NFKB1RAB9A
SCHEMBL18327627 0.84 NOTUM (0.46) DYRK1ACYP19A1NPC1NFKB1RAB9A
SCHEMBL29637608 0.83 CLK4 (0.57) CLK4DYRK1ACYP2A6ADRB2CYP19A1

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 3556/4885CYP2A6 1219/4885

“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.