SCHEMBL9973697

SCHEMBL9973697

c1cncc(-c2cccc(-c3ccc(-c4cncc(-c5ccc(-c6cccc(-c7cccnc7)n6)c6ccccc56)n4)c4ccccc34)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.54
CYP19A1 P11511 3/20 0.51
CYP11B1 P15538 2/20 0.49
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
PTK2 Q05397 1/20 0.45
CYP11B2 P19099 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
KARS1 Q15046 1/20 0.44
RAB9A P51151 3/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCD Q05655 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
SCHEMBL10017189 0.85 CYP19A1 (0.50) CYP2A6CYP19A1CYP11B1HSP90AA1HSP90AB1
SCHEMBL9973705 0.83 CYP2A6 (0.53) CYP2A6CYP19A1CYP11B1HSP90AA1HSP90AB1
SCHEMBL3194702 0.82 CYP2A6 (0.74) CYP2A6CYP19A1HSP90AA1HSP90AB1PTK2
SCHEMBL2016269 0.81 CYP2A6 (0.59) CYP2A6CYP19A1CYP11B1HSP90AA1HSP90AB1
SCHEMBL12925631 0.81 CYP2A6 (0.62) CYP2A6CYP19A1CYP11B1HSP90AA1HSP90AB1
SCHEMBL18905222 0.81 CYP19A1 (0.69) CYP2A6CYP19A1CYP11B1HSP90AA1HSP90AB1
SCHEMBL9973772 0.80 CYP2A6 (0.50) CYP2A6CYP19A1CYP11B1HSP90AA1HSP90AB1
SCHEMBL28377234 0.80 CYP11B1 (0.53) CYP2A6CYP19A1CYP11B1HSP90AA1HSP90AB1
SCHEMBL9973707 0.80 CYP2A6 (0.57) CYP2A6CYP19A1CYP11B1HSP90AA1HSP90AB1
SCHEMBL9973703 0.80 CYP2A6 (0.47) CYP2A6CYP19A1CYP11B1ALDH1A1HPGD

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 4405/4885CYP19A1 3499/4885CYP11B1 1482/4885
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SLC25A11, ELAVL1, SLC26A3 CYP2A6 4405/4885CYP19A1 3499/4885CYP11B1 1482/4885

“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.