SCHEMBL9973675

SCHEMBL9973675

CC1(C)c2cc(-c3cccc(-c4cccnc4)n3)ccc2-c2cc3c(cc21)-c1ccc(-c2cccc(-c4cccnc4)n2)cc1C3(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.51
PDK2 Q15119 1/20 0.46
CYP19A1 P11511 3/20 0.45
KARS1 Q15046 1/20 0.42
TDP2 O95551 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
PTK2 Q05397 1/20 0.40
ABL1 P00519 2/20 0.40
BCR P11274 2/20 0.40
EGFR P00533 1/20 0.40
SRC P12931 1/20 0.40
PRKACA P17612 1/20 0.40
PRKACG P22612 1/20 0.40
PRKACB P22694 1/20 0.40
MEN1 O00255 1/20 0.40
PSIP1 O75475 1/20 0.40
AXL P30530 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 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
SCHEMBL12259758 0.94 PDK2 (0.47) CYP2A6PDK2CYP19A1KARS1TDP2
SCHEMBL9973762 0.92 ROS1 (0.46) CYP2A6PDK2CYP19A1KARS1TDP2
SCHEMBL9973756 0.92 PDK2 (0.46) CYP2A6PDK2CYP19A1KARS1TDP2
SCHEMBL22428451 0.89 PDK2 (0.53) CYP2A6PDK2CYP19A1KARS1TDP2
SCHEMBL13388789 0.84 PDK2 (0.57) CYP2A6PDK2CYP19A1TDP2MEN1
SCHEMBL9973913 0.83 CYP19A1 (0.49) CYP2A6PDK2CYP19A1KARS1TDP2
SCHEMBL9973739 0.82 CYP2A6 (0.52) CYP2A6PDK2CYP19A1TDP2HSP90AA1
SCHEMBL13388800 0.82 PDK2 (0.56) CYP2A6PDK2CYP19A1TDP2MEN1
SCHEMBL19767975 0.82 PDK2 (0.48) CYP2A6PDK2CYP19A1TDP2CYP11B1
SCHEMBL16189451 0.80 PDK2 (0.42) CYP2A6PDK2

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 4405/4885PDK2 4209/4885CYP19A1 3499/4885
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SLC25A11, ELAVL1, SLC26A3 CYP2A6 4405/4885PDK2 4209/4885CYP19A1 3499/4885

“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.