SCHEMBL1103607

SCHEMBL1103607

c1ccc2c(c1)Sc1ccccc1N2c1c2ccccc2c(-c2cccc3ccccc23)c2c1cnc1ccccc12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.36
SLC6A3 Q01959 1/20 0.36
POLB P06746 1/20 0.35
KDM4E B2RXH2 2/20 0.33
GPR3 P46089 1/20 0.33
MET P08581 1/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
HIF1A Q16665 1/20 0.31
ACHE P22303 1/20 0.30
PDE10A Q9Y233 1/20 0.30
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30

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
SCHEMBL1103608 0.85 POLB (0.35) BCHEPOLBKDM4EGPR3MET
SCHEMBL1103612 0.84 POLB (0.35) POLBKDM4EGPR3MAPTPDE10A
SCHEMBL1103441 0.84 TLR7 (0.34) POLBKDM4ECYP2D6CYP2C19CYP1A2
SCHEMBL1103317 0.83 MAOA (0.35) BCHEKDM4EGPR3MAPTACHE
SCHEMBL1103611 0.83 MEN1 (0.37) POLBKDM4EGPR3METMAPT
SCHEMBL1103602 0.83 PDE10A (0.33) BCHEPOLBKDM4EGPR3MET
SCHEMBL1103553 0.83 MET (0.39) BCHESLC6A3KDM4EGPR3MET
SCHEMBL1102855 0.79 TNF (0.40) BCHESLC6A3POLBKDM4ECYP2D6
SCHEMBL1103241 0.78 BCHE (0.38) BCHESLC6A3POLBKDM4ECYP2D6
SCHEMBL1103603 0.78 KDM4E (0.36) KDM4EGPR3METMAPTPDE10A

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 BCHE 1355/4885SLC6A3 4197/4885POLB 2825/4885

“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.