SCHEMBL1102698

SCHEMBL1102698

c1cncc(-c2c3ccccc3c(-c3cccnc3)c3cnccc23)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP11B1 P15538 3/20 0.49
IDO1 P14902 1/20 0.47
LRRK2 Q5S007 1/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GSK3B P49841 1/20 0.46
DYRK1A Q13627 1/20 0.46
CYP11B2 P19099 3/20 0.45
TDO2 P48775 1/20 0.44

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
SCHEMBL29515584 0.92 CYP2A6 (0.64) CYP2A6ALDH1A1CYP3A4CYP1A2CYP11B1
SCHEMBL13145318 0.92 CYP2A6 (0.64) CYP2A6ALDH1A1CYP3A4CYP1A2CYP11B1
SCHEMBL24662771 0.88 CYP2A6 (0.58) CYP2A6ALDH1A1CYP3A4CYP1A2CYP11B1
SCHEMBL1102490 0.88 TNF (0.48) CYP2A6ALDH1A1CYP3A4CYP1A2CYP11B1
SCHEMBL1102806 0.86 TNF (0.47) CYP2A6ALDH1A1CYP3A4CYP1A2IDO1
SCHEMBL1102900 0.86 TNF (0.47) CYP2A6ALDH1A1CYP3A4CYP1A2IDO1
SCHEMBL1102677 0.86 TNF (0.47) CYP2A6ALDH1A1CYP3A4CYP1A2IDO1
SCHEMBL1102798 0.86 TNF (0.47) CYP2A6ALDH1A1CYP3A4CYP1A2IDO1
SCHEMBL1102533 0.85 CYP19A1 (0.63) CYP2A6ALDH1A1CYP3A4CYP1A2CYP11B1
SCHEMBL1102728 0.84 NOTUM (0.48) CYP2A6ALDH1A1CYP3A4CYP1A2IDO1

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 1911/4885ALDH1A1 1015/4885CYP3A4 1409/4885

“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.