SCHEMBL9973765

SCHEMBL9973765

c1cncc(-c2ccc(-c3c4ccccc4c(-c4ccnc(-c5cccnc5)c4)c4ccccc34)cn2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.51
CYP3A4 P08684 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.47
PIM1 P11309 9/20 0.46
PIM2 Q9P1W9 5/20 0.46
PIM3 Q86V86 4/20 0.46
CYP19A1 P11511 1/20 0.45
MAPKAPK2 P49137 1/20 0.42
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 2/20 0.40
ROS1 P08922 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL9973738 0.91 CYP2A6 (0.58) CYP2A6CYP3A4LOXL2PIM1PIM2
SCHEMBL2023297 0.90 CYP2A6 (0.58) CYP2A6CYP3A4PIM1PIM2PIM3
SCHEMBL9973769 0.85 CYP2A6 (0.50) CYP2A6CYP3A4LOXL2PIM1PIM2
SCHEMBL24345106 0.84 CYP2A6 (0.54) CYP2A6CYP3A4PIM1PIM2PIM3
SCHEMBL2022016 0.83 CYP19A1 (0.49) CYP2A6CYP3A4PIM1PIM2PIM3
SCHEMBL19990185 0.83 CYP2A6 (0.50) CYP2A6CYP3A4PIM1PIM2PIM3
SCHEMBL9973760 0.82 CYP19A1 (0.51) CYP2A6LOXL2PIM1PIM2PIM3
SCHEMBL11886867 0.82 CYP19A1 (0.48) CYP2A6CYP3A4PIM1PIM2PIM3
SCHEMBL13016367 0.81 CYP11B2 (0.57) CYP2A6CYP3A4PIM1PIM2PIM3
SCHEMBL10030106 0.81 CYP2A6 (0.60) CYP2A6CYP3A4PIM1PIM2PIM3

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 CYP2A6 4405/4885CYP3A4 1526/4885LOXL2 2075/4885
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SLC25A11, ELAVL1, SLC26A3 CYP2A6 4405/4885CYP3A4 1526/4885LOXL2 2075/4885

“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.