SCHEMBL9973736

SCHEMBL9973736

c1cncc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc(-c6cccnc6)nc5)ccc3-4)cn2)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.57
CYP2A6 P11509 5/20 0.47
CYP3A4 P08684 3/20 0.47
TDP2 O95551 2/20 0.46
CYP11B1 P15538 7/20 0.44
CYP11B2 P19099 7/20 0.44
CYP19A1 P11511 2/20 0.44
CYP17A1 P05093 1/20 0.44
CYP1A2 P05177 3/20 0.44
ALDH1A1 P00352 1/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
NPY5R Q15761 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM1A O60341 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
SCHEMBL19164154 0.99 PDK2 (0.56) PDK2CYP2A6CYP3A4TDP2CYP11B1
SCHEMBL19164112 0.99 PDK2 (0.56) PDK2CYP2A6CYP3A4TDP2CYP11B1
SCHEMBL19164546 0.95 PDK2 (0.54) PDK2CYP2A6CYP3A4TDP2CYP11B1
SCHEMBL9973778 0.94 PDK2 (0.52) PDK2CYP2A6CYP3A4TDP2CYP11B1
SCHEMBL20225143 0.92 PDK2 (0.53) PDK2CYP2A6CYP3A4TDP2CYP11B1
SCHEMBL20225156 0.92 PDK2 (0.53) PDK2CYP2A6CYP3A4TDP2CYP11B1
SCHEMBL20221941 0.91 PDK2 (0.49) PDK2CYP2A6CYP3A4TDP2CYP11B1
SCHEMBL17532892 0.91 PDK2 (0.49) PDK2CYP2A6CYP3A4TDP2CYP11B1
SCHEMBL15977821 0.90 PDK2 (0.48) PDK2CYP2A6CYP3A4TDP2CYP11B1
SCHEMBL9973724 0.88 PDK2 (0.50) PDK2CYP2A6CYP3A4TDP2CYP11B1

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 6 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-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 4209/4885CYP2A6 4405/4885CYP3A4 1526/4885
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SLC25A11, ELAVL1, SLC26A3 PDK2 4209/4885CYP2A6 4405/4885CYP3A4 1526/4885

“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.