SCHEMBL9973767

SCHEMBL9973767

c1ccc(-n2c3cc(-c4ccc(-c5cccnc5)nc4)ccc3c3ccc(-c4ccnc(-c5cccnc5)c4)cc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.45
PIM1 P11309 6/20 0.42
PIM2 Q9P1W9 4/20 0.42
PIM3 Q86V86 3/20 0.42
METAP2 P50579 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP3A4 P08684 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
GRM5 P41594 1/20 0.39
PIK3CA P42336 1/20 0.39
FHIT P49789 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMO O15229 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
SCHEMBL9973717 0.94 METAP2 (0.45) CYP2A6PIM1PIM2PIM3METAP2
SCHEMBL9973757 0.88 CYP19A1 (0.43) CYP2A6PIM1PIM2PIM3METAP2
SCHEMBL9973737 0.84 CYP2A6 (0.44) CYP2A6PIM1PIM2PIM3CYP19A1
SCHEMBL9973728 0.84 CYP2A6 (0.44) CYP2A6PIM1PIM2PIM3CYP19A1
SCHEMBL9973742 0.84 CYP2A6 (0.50) CYP2A6PIM1PIM2PIM3CYP19A1
SCHEMBL24345161 0.84 CYP19A1 (0.42) CYP2A6METAP2CYP19A1
SCHEMBL12554398 0.83 CYP11B1 (0.39) CYP2A6PIM1PIM2PIM3METAP2
SCHEMBL9973716 0.82 CYP11B2 (0.53) CYP2A6CYP19A1CYP3A4
SCHEMBL9973769 0.82 CYP2A6 (0.50) CYP2A6PIM1PIM2PIM3CYP19A1
SCHEMBL9973709 0.80 CYP19A1 (0.49) CYP2A6METAP2CYP19A1CYP3A4GRM5

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 4405/4885PIM1 4153/4885PIM2 3918/4885
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SLC25A11, ELAVL1, SLC26A3 CYP2A6 4405/4885PIM1 4153/4885PIM2 3918/4885

“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.