SCHEMBL9973763

SCHEMBL9973763

c1cncc(-c2cc(-c3ccc4c5ccc(-c6cccc(-c7cccnc7)n6)cc5c5ccccc5c4c3)ccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.50
CYP2A6 P11509 3/20 0.49
LOXL2 Q9Y4K0 1/20 0.45
CYP11B1 P15538 2/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
PTK2 Q05397 1/20 0.44
PIK3CA P42336 1/20 0.44
KMO O15229 1/20 0.43
PIM1 P11309 2/20 0.43
PIM2 Q9P1W9 2/20 0.43
KARS1 Q15046 1/20 0.43
CYP17A1 P05093 1/20 0.43
CYP11B2 P19099 1/20 0.43
ABL1 P00519 4/20 0.43
PRKCA P17252 3/20 0.43
PRKCD Q05655 2/20 0.43
EGFR P00533 1/20 0.43
ROS1 P08922 2/20 0.42
PIM3 Q86V86 1/20 0.41

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 0.92 CYP2A6 (0.55) CYP19A1CYP2A6LOXL2CYP11B1HSP90AA1
SCHEMBL2020493 0.90 CYP19A1 (0.56) CYP19A1CYP2A6CYP11B1HSP90AA1HSP90AB1
SCHEMBL19222809 0.90 CYP19A1 (0.56) CYP19A1CYP2A6CYP11B1HSP90AA1HSP90AB1
SCHEMBL23843492 0.89 CYP19A1 (0.56) CYP19A1CYP2A6CYP11B1HSP90AA1HSP90AB1
SCHEMBL24492905 0.89 CYP19A1 (0.55) CYP19A1CYP2A6CYP11B1HSP90AA1HSP90AB1
SCHEMBL15459447 0.89 CYP19A1 (0.54) CYP19A1CYP2A6CYP11B1HSP90AA1HSP90AB1
SCHEMBL15459433 0.88 CYP2A6 (0.58) CYP19A1CYP2A6LOXL2CYP11B1HSP90AA1
SCHEMBL15459439 0.87 CYP2A6 (0.57) CYP19A1CYP2A6CYP11B1HSP90AA1HSP90AB1
SCHEMBL9973758 0.87 CYP2A6 (0.49) CYP19A1CYP2A6CYP11B1HSP90AA1HSP90AB1
SCHEMBL23843601 0.87 CYP19A1 (0.57) CYP19A1CYP2A6LOXL2CYP11B1HSP90AA1

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 CYP19A1 3499/4885CYP2A6 4405/4885LOXL2 2075/4885
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SLC25A11, ELAVL1, SLC26A3 CYP19A1 3499/4885CYP2A6 4405/4885LOXL2 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.