SCHEMBL1102884

SCHEMBL1102884

c1ccc2c(-c3cncnc3)c3ncccc3c(-c3cncnc3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.42
NPC1 O15118 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HSP90AA1 P07900 1/20 0.42
ATM Q13315 1/20 0.41
PDE4A P27815 1/20 0.38
GRM4 Q14833 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 2/20 0.35
PIM1 P11309 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
LMNA P02545 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
SCHEMBL1102794 0.86 CYP2A6 (0.50) CYP2A6NPC1L3MBTL1HSP90AA1ALDH1A1
SCHEMBL13915445 0.82 ATM (0.56) CYP2A6ATMALDH1A1PIM1CYP1A2
SCHEMBL1102887 0.81 MAPK14 (0.45) NPC1L3MBTL1HSP90AA1ALDH1A1KDM4E
SCHEMBL1102824 0.81 L3MBTL1 (0.43) NPC1L3MBTL1HSP90AA1ALDH1A1KDM4E
SCHEMBL1103120 0.79 L3MBTL1 (0.42) NPC1L3MBTL1HSP90AA1ALDH1A1KDM4E
SCHEMBL1103081 0.79 L3MBTL1 (0.42) NPC1L3MBTL1HSP90AA1ALDH1A1KDM4E
SCHEMBL1103109 0.79 L3MBTL1 (0.42) NPC1L3MBTL1HSP90AA1ALDH1A1KDM4E
SCHEMBL1103115 0.79 L3MBTL1 (0.42) NPC1L3MBTL1HSP90AA1ALDH1A1KDM4E
SCHEMBL1102789 0.78 L3MBTL1 (0.41) NPC1L3MBTL1HSP90AA1ALDH1A1KDM4E
SCHEMBL1102949 0.78 L3MBTL1 (0.41) NPC1L3MBTL1HSP90AA1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
EP-2147962-A1 Azaanthracene-derivatives and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-01-27 EP 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-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, OCIAD2, OCIAD1 CYP2A6 1911/4885NPC1 1582/4885L3MBTL1 1629/4885

“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.