SCHEMBL9973769

SCHEMBL9973769

c1cncc(-c2ccc(-c3ccc4c5ccc(-c6ccnc(-c7cccnc7)c6)cc5c5ccccc5c4c3)cn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.50
PIK3CA P42336 1/20 0.48
CYP3A4 P08684 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
PIM1 P11309 6/20 0.45
PIM2 Q9P1W9 3/20 0.45
PIM3 Q86V86 2/20 0.45
CYP19A1 P11511 2/20 0.44
CYP11B1 P15538 2/20 0.44
CYP17A1 P05093 1/20 0.44
CYP11B2 P19099 1/20 0.44
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
DAPK3 O43293 1/20 0.43
JAK2 O60674 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
PAK4 O96013 1/20 0.43
ABL1 P00519 1/20 0.43
LCK P06239 1/20 0.43

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
SCHEMBL9973748 0.93 CYP2A6 (0.55) CYP2A6PIK3CALOXL2PIM1PIM2
SCHEMBL15459454 0.93 CYP2A6 (0.53) CYP2A6PIK3CACYP3A4PIM1PIM2
SCHEMBL15459428 0.93 CYP2A6 (0.53) CYP2A6PIK3CACYP3A4PIM1PIM2
SCHEMBL19172029 0.93 CYP2A6 (0.53) CYP2A6PIK3CACYP3A4PIM1PIM2
SCHEMBL15459436 0.93 CYP2A6 (0.53) CYP2A6PIK3CACYP3A4PIM1PIM2
SCHEMBL15459497 0.93 CYP2A6 (0.53) CYP2A6PIK3CACYP3A4PIM1PIM2
SCHEMBL15459489 0.93 CYP2A6 (0.53) CYP2A6PIK3CACYP3A4PIM1PIM2
SCHEMBL15459470 0.93 CYP2A6 (0.53) CYP2A6PIK3CACYP3A4PIM1PIM2
SCHEMBL15459437 0.90 CYP2A6 (0.56) CYP2A6PIK3CACYP3A4PIM1PIM2
SCHEMBL9973735 0.89 CYP19A1 (0.53) CYP2A6PIK3CACYP3A4PIM1PIM2

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 4405/4885PIK3CA 4073/4885CYP3A4 1526/4885
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SLC25A11, ELAVL1, SLC26A3 CYP2A6 4405/4885PIK3CA 4073/4885CYP3A4 1526/4885

“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.