SCHEMBL9973685

SCHEMBL9973685

c1cncc(-c2cccc(-c3cccc4c(-c5cccc(-c6cccnc6)n5)c5ccccc5cc34)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 10/20 0.51
GPR84 Q9NQS5 1/20 0.49
CYP19A1 P11511 2/20 0.47
CYP2A6 P11509 2/20 0.46
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP11B2 P19099 9/20 0.42
CYP17A1 P05093 1/20 0.40
TNF P01375 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HSD17B1 P14061 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL9973772 0.92 CYP2A6 (0.50) CYP11B1GPR84CYP19A1CYP2A6KDM4E
SCHEMBL28377234 0.86 CYP11B1 (0.53) CYP11B1GPR84CYP19A1CYP2A6KDM4E
SCHEMBL2016269 0.86 CYP2A6 (0.59) CYP11B1GPR84CYP19A1CYP2A6ALDH1A1
SCHEMBL9973707 0.84 CYP2A6 (0.57) CYP11B1GPR84CYP19A1CYP2A6KDM4E
SCHEMBL12259731 0.83 CYP19A1 (0.57) CYP11B1GPR84CYP19A1CYP2A6KDM4E
SCHEMBL17320792 0.81 CYP11B1 (0.50) CYP11B1GPR84CYP19A1CYP2A6KDM4E
SCHEMBL10017189 0.80 CYP19A1 (0.50) CYP11B1GPR84CYP19A1CYP2A6KDM4E
SCHEMBL13820448 0.79 CYP11B1 (0.59) CYP11B1GPR84CYP19A1CYP2A6CYP11B2
SCHEMBL17320788 0.79 CYP19A1 (0.47) CYP11B1GPR84CYP19A1CYP2A6KDM4E
SCHEMBL18101988 0.79 CYP19A1 (0.56) CYP11B1GPR84CYP19A1CYP2A6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202633-B2 Electron transport material and organic electroluminescent device using the same JNC CORPORATION (JP) 2012-06-19 US disclosed
US-8202633-B2 Electron transport material and organic electroluminescent device using the same JNC CORPORATION (JP) 2012-06-19 US disclosed
US-20110215310-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME SK MATERIALS JNC CO., LTD. (KR) 2011-09-08 US disclosed
US-20110215310-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME SK MATERIALS JNC CO., LTD. (KR) 2011-09-08 US disclosed
US-7964293-B2 Electron transport material and organic electroluminescent device using the same JNC CORPORATION (JP) 2011-06-21 US disclosed
US-7964293-B2 Electron transport material and organic electroluminescent device using the same JNC CORPORATION (JP) 2011-06-21 US disclosed
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SK MATERIALS JNC CO., LTD. (KR) 2009-05-28 US disclosed
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SK MATERIALS JNC CO., LTD. (KR) 2009-05-28 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 (2 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-20110215310-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME SLC25A11, ELAVL1, SLC26A3 CYP11B1 1482/4885GPR84 1988/4885CYP19A1 3499/4885
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SLC25A11, ELAVL1, SLC26A3 CYP11B1 1482/4885GPR84 1988/4885CYP19A1 3499/4885

“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.