SCHEMBL18327628

SCHEMBL18327628

c1cnc(-c2cccc(-c3ncnc(-c4cccc(-c5ncccn5)c4)n3)c2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 3/20 0.50
DYRK1A Q13627 1/20 0.50
CYP2A6 P11509 1/20 0.43
ADRB2 P07550 1/20 0.41
CYP19A1 P11511 3/20 0.40
PIK3CD O00329 3/20 0.40
PIP5K1C O60331 1/20 0.40
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP2C9 P11712 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DHFR P00374 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL18327572 0.92 CLK4 (0.44) CLK4DYRK1ACYP2A6ADRB2CYP19A1
SCHEMBL14961829 0.86 CLK4 (0.61) CLK4DYRK1ACYP2A6ADRB2CYP19A1
SCHEMBL18327587 0.84 CLK4 (0.52) CLK4DYRK1ACYP2A6ADRB2CYP19A1
SCHEMBL18327566 0.83 KDM4E (0.53) CYP2A6PIK3CDPI4KAPIK3CGPI4KB
SCHEMBL30293827 0.83 GP6 (0.48) PIK3CDPIK3CGL3MBTL1LMNASMN1; SMN2
SCHEMBL16441580 0.83 GP6 (0.48) PIK3CDPIK3CGL3MBTL1LMNASMN1; SMN2
SCHEMBL18327332 0.83 CLK4 (0.50) CLK4DYRK1ACYP2A6ADRB2L3MBTL1
SCHEMBL20418294 0.82 NPC1 (0.42) L3MBTL1LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL29637608 0.81 CLK4 (0.57) CLK4DYRK1ACYP2A6ADRB2CYP19A1
SCHEMBL18134292 0.81 GP6 (0.47) L3MBTL1LMNASMN1; SMN2KDM4EALDH1A1

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.