SCHEMBL9973728

SCHEMBL9973728

c1ccc(-n2c3ccc(-c4ccc(-c5cccnc5)nc4)cc3c3cc(-c4ccc(-c5cccnc5)nc4)ccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.44
CYP3A4 P08684 4/20 0.44
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
CYP11B1 P15538 4/20 0.42
CYP11B2 P19099 4/20 0.42
CYP19A1 P11511 2/20 0.42
CYP17A1 P05093 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
NR4A2 P43354 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.42
RAF1 P04049 1/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP2E1 P05181 1/20 0.40
CYP2D6 P10635 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
SCHEMBL9973737 1.00 CYP2A6 (0.44) CYP2A6CYP3A4PIM1PIM3PIM2
SCHEMBL9973717 0.90 METAP2 (0.45) CYP2A6CYP3A4PIM1PIM3PIM2
SCHEMBL9973742 0.87 CYP2A6 (0.50) CYP2A6CYP3A4PIM1PIM3PIM2
SCHEMBL15369915 0.87 CYP19A1 (0.51) CYP2A6CYP3A4PIM1PIM3PIM2
SCHEMBL9973719 0.87 CYP11B2 (0.53) CYP2A6CYP3A4CYP11B1CYP11B2CYP19A1
SCHEMBL23057379 0.87 L3MBTL1 (0.51) CYP2A6CYP3A4PIM1CYP11B1CYP11B2
SCHEMBL9973775 0.85 CYP19A1 (0.42) CYP2A6CYP3A4PIM1PIM3PIM2
SCHEMBL11998170 0.85 CYP19A1 (0.45) CYP2A6CYP3A4PIM1CYP11B1CYP11B2
SCHEMBL19618529 0.85 DHODH (0.43) CYP11B1CYP11B2CYP19A1CYP2C9PIK3CA
SCHEMBL15369928 0.85 CYP19A1 (0.51) CYP2A6CYP3A4PIM1PIM3PIM2

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 1526/4885PIM1 4153/4885
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SLC25A11, ELAVL1, SLC26A3 CYP2A6 4405/4885CYP3A4 1526/4885PIM1 4153/4885

“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.