SCHEMBL1102911

SCHEMBL1102911

c1ccc2c(-c3ccncn3)c3ncccc3c(-c3ccncn3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
NPC1 O15118 1/20 0.42
MAPK13 O15264 1/20 0.36
RAF1 P04049 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 3/20 0.34
PARP1 P09874 3/20 0.34
KDM4E B2RXH2 4/20 0.33
MAPT P10636 3/20 0.33
CCR1 P32246 3/20 0.33
CCR8 P51685 3/20 0.33
GMNN O75496 1/20 0.33
TP53 P04637 1/20 0.33
MMP2 P08253 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
SCHEMBL1102737 0.81 KDM4E (0.52) HSP90AA1L3MBTL1NPC1ALDH1A1LMNA
SCHEMBL1102679 0.78 MAOA (0.40) HSP90AA1MAPK13RAF1MAPK9MAPK12
SCHEMBL1102966 0.76 HSP90AA1 (0.44) HSP90AA1L3MBTL1NPC1CYP3A4ALDH1A1
SCHEMBL1102887 0.74 MAPK14 (0.45) HSP90AA1L3MBTL1NPC1MAPK13RAF1
SCHEMBL29660651 0.74 CYP3A4 (0.49) MAPK13RAF1MAPK9MAPK12MAPK11
SCHEMBL9601636 0.74 CYP3A4 (0.49) MAPK13RAF1MAPK9MAPK12MAPK11
SCHEMBL1102997 0.73 TOP1 (0.40) L3MBTL1NPC1CYP3A4ALDH1A1LMNA
SCHEMBL1102885 0.73 L3MBTL1 (0.35) HSP90AA1L3MBTL1NPC1MAPK9CYP3A4
SCHEMBL1102872 0.72 CCR1 (0.53) HSP90AA1L3MBTL1NPC1CYP3A4ALDH1A1
SCHEMBL1102884 0.71 CYP2A6 (0.42) HSP90AA1L3MBTL1NPC1CYP3A4ALDH1A1

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 4 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

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 HSP90AA1 4884/4885L3MBTL1 1629/4885NPC1 1582/4885

“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.