SCHEMBL1102955

SCHEMBL1102955

c1ccc2c(c1)Sc1ccccc1N2c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccncc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
BCHE P06276 4/20 0.36
ACHE P22303 5/20 0.36
GRIN1 Q05586 4/20 0.36
GRIN2A Q12879 4/20 0.36
MAPK9 P45984 5/20 0.35
MAPK10 P53779 5/20 0.35
TDO2 P48775 2/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
HTR6 P50406 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MAPK8 P45983 3/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL1102785 0.86 CYP11B1 (0.39) CYP17A1CYP19A1CYP11B1CYP11B2MAPK9
SCHEMBL1102658 0.85 ACHE (0.40) BCHEACHEGRIN1GRIN2ASMN1; SMN2
SCHEMBL1102850 0.85 CYP11B1 (0.38) CYP17A1CYP19A1CYP11B1CYP11B2MAPK9
SCHEMBL1102506 0.83 ACHE (0.45) BCHEACHEGRIN1GRIN2ATDO2
SCHEMBL1102847 0.83 CYP17A1 (0.36) CYP17A1CYP19A1CYP11B1CYP11B2MAPK9
SCHEMBL1102764 0.83 CYP17A1 (0.36) CYP17A1CYP19A1CYP11B1CYP11B2MAPK9
SCHEMBL1103190 0.83 BCHE (0.36) CYP17A1CYP19A1CYP11B1CYP11B2BCHE
SCHEMBL1102855 0.81 TNF (0.40) CYP11B2BCHEACHEGRIN1GRIN2A
SCHEMBL1103553 0.80 MET (0.39) BCHEACHEHTR2CADRA1AHTR2B
SCHEMBL1102635 0.79 CYP11B1 (0.54) CYP17A1CYP19A1CYP11B1CYP11B2MAPK9

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 CYP17A1 2034/4885CYP19A1 1424/4885CYP11B1 836/4885

“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.