SCHEMBL13367447

SCHEMBL13367447

CN(c1ccc2ccccc2c1)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 1/20 0.44
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
CYP1A2 P05177 2/20 0.41
GRIA1 P42261 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
HTT P42858 2/20 0.39
CSNK1D P48730 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
DRD1 P21728 1/20 0.36

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
SCHEMBL13557861 0.87 DOT1L (0.60) DOT1LCYP2D6CYP2C19KDM4CCYP1A2
SCHEMBL13557879 0.86 KDM4C (0.48) DOT1LCYP2D6CYP2C19KDM4CCYP1A2
SCHEMBL13557888 0.85 ALDH1A1 (0.49) DOT1LCYP2D6CYP2C19KDM4CCYP1A2
SCHEMBL13367451 0.82 MEN1 (0.40) DOT1LKDM4CCYP1A2GRIA1L3MBTL1
SCHEMBL13557860 0.80 IGF1R (0.49) DOT1LCYP2D6CYP2C19KDM4CCYP1A2
SCHEMBL5441435 0.79 HTT (0.49) CYP1A2L3MBTL1NPSR1HTTSIGMAR1
SCHEMBL13333997 0.79 KDM4E (0.39) CYP2D6CYP2C19L3MBTL1NPSR1HTT
SCHEMBL11582735 0.79 HTT (0.46) DOT1LKDM4CCYP1A2GRIA1L3MBTL1
SCHEMBL13338160 0.78 CYP2D6 (0.41) DOT1LCYP2D6CYP2C19KDM4CCYP1A2
SCHEMBL16484698 0.78 ALDH1A1 (0.40) CYP2D6CYP2C19CYP1A2L3MBTL1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-05-06 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-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OR10J3, OCIAD1, OCIAD2 DOT1L 1087/4885CYP2D6 1421/4885CYP2C19 1808/4885

“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.