SCHEMBL13616006

SCHEMBL13616006

c1ccc(-c2ccc3c4ccc(-c5ncccn5)cc4c4c5ccccc5c5ccccc5c4c3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.40
MAP4K4 O95819 1/20 0.39
ALK Q9UM73 1/20 0.39
CLK4 Q9HAZ1 3/20 0.39
DYRK1A Q13627 1/20 0.39
NPC1 O15118 2/20 0.38
NFKB1 P19838 2/20 0.38
RAB9A P51151 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MKNK1 Q9BUB5 1/20 0.37
PLAU P00749 2/20 0.37
PLG P00747 1/20 0.37
JAK2 O60674 2/20 0.37
CYP2A6 P11509 1/20 0.36
DHFR P00374 1/20 0.36
IMPDH2 P12268 1/20 0.36
ADRB2 P07550 1/20 0.34
GP6 Q9HCN6 1/20 0.34

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
SCHEMBL13615913 0.93 CLK4 (0.39) CLK4DYRK1ANPC1RAB9ACYP2A6
SCHEMBL13615763 0.93 CLK4 (0.39) CLK4DYRK1ANPC1RAB9ACYP2A6
SCHEMBL13615945 0.93 CLK4 (0.39) CLK4DYRK1ANPC1RAB9ACYP2A6
SCHEMBL13615869 0.87 CLK4 (0.42) CLK4DYRK1ANPC1RAB9ACYP2A6
SCHEMBL17229022 0.83 CLK4 (0.42) CLK4DYRK1ANPC1RAB9ACYP2A6
SCHEMBL17229023 0.83 CLK4 (0.42) CLK4DYRK1ANPC1RAB9ACYP2A6
SCHEMBL20228679 0.82 MEN1 (0.46) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL13616009 0.82 NOTUM (0.56) PIK3CAMAP4K4ALKNPC1NFKB1
SCHEMBL20228639 0.81 MEN1 (0.42) CLK4DHFRGP6
SCHEMBL21919942 0.81 CYP2A6 (0.33) CLK4DYRK1ANPC1NFKB1RAB9A

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-20090273278-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-11-05 US disclosed
US-20090273278-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-11-05 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-20090273278-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 PIK3CA 3332/4885MAP4K4 3602/4885ALK 1571/4885

“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.