SCHEMBL2018423

SCHEMBL2018423

c1ccc(C2(c3ccccc3)c3cc(-c4ccc(-c5cccnc5)nc4)ccc3-c3c2cc(-c2ccc(-c4cccnc4)nc2)c2ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.42
CYP11B1 P15538 6/20 0.40
DHODH Q02127 1/20 0.39
TDP2 O95551 2/20 0.38
CYP2A6 P11509 2/20 0.38
CYP3A4 P08684 1/20 0.38
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
DYRK1A Q13627 1/20 0.37
CYP11B2 P19099 5/20 0.36
KMO O15229 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP19A1 P11511 2/20 0.36
CYP17A1 P05093 1/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35

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
SCHEMBL9973714 0.88 PDK2 (0.48) PDK2CYP11B1TDP2CYP2A6CYP3A4
SCHEMBL9973724 0.88 PDK2 (0.50) PDK2CYP11B1TDP2CYP2A6CYP3A4
SCHEMBL15977516 0.85 PDK2 (0.45) PDK2CYP11B1DHODHTDP2CYP2A6
SCHEMBL15977588 0.84 PDK2 (0.44) PDK2CYP11B1DHODHTDP2CYP2A6
SCHEMBL15682159 0.84 PDK2 (0.42) PDK2CYP11B1DHODHTDP2PIM1
SCHEMBL16159438 0.82 PIM1 (0.39) PIM1
SCHEMBL16159457 0.81 PDK2 (0.40) PDK2CYP11B1CYP11B2
SCHEMBL15977831 0.81 PDK2 (0.43) PDK2CYP11B1DHODHTDP2CYP2A6
SCHEMBL16159146 0.81 PDPK1 (0.35) HSD17B1HSD17B2
SCHEMBL16159147 0.81 HPGDS (0.36)

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 10 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-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-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 PDK2 4209/4885CYP11B1 1482/4885DHODH 3596/4885
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SLC25A11, ELAVL1, SLC26A3 PDK2 4209/4885CYP11B1 1482/4885DHODH 3596/4885

“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.