SCHEMBL9973740

SCHEMBL9973740

c1cncc(-c2cc(-c3ccc4c(c3)c3cc(-c5ccnc(-c6cccnc6)c5)ccc3n4-c3ccc4ccccc4c3)ccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.50
CYP11B2 P19099 4/20 0.50
CYP11B1 P15538 3/20 0.50
CYP17A1 P05093 2/20 0.50
CYP2A6 P11509 2/20 0.45
MAPK10 P53779 5/20 0.43
MAPK9 P45984 4/20 0.43
MAPK1 P28482 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PIK3CA P42336 1/20 0.39

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
SCHEMBL9973719 0.89 CYP11B2 (0.53) CYP19A1CYP11B2CYP11B1CYP17A1CYP2A6
SCHEMBL9973742 0.87 CYP2A6 (0.50) CYP19A1CYP2A6ALDH1A1LOXL2PIK3CA
SCHEMBL9973681 0.86 CYP19A1 (0.49) CYP19A1CYP11B2CYP11B1CYP17A1CYP2A6
SCHEMBL29291487 0.84 CYP11B2 (0.56) CYP19A1CYP11B2CYP11B1CYP17A1CYP2A6
SCHEMBL15449956 0.81 CYP11B2 (0.49) CYP19A1CYP11B2CYP11B1CYP17A1MAPK10
SCHEMBL19009625 0.81 CYP11B2 (0.58) CYP19A1CYP11B2CYP11B1CYP17A1CYP2A6
SCHEMBL9973716 0.80 CYP11B2 (0.53) CYP19A1CYP11B2CYP11B1CYP17A1CYP2A6
SCHEMBL15369927 0.79 CYP19A1 (0.50) CYP19A1CYP11B2CYP11B1CYP17A1CYP2A6
SCHEMBL17952928 0.78 ASIC3 (0.42) MAPTPIK3CA
SCHEMBL15369822 0.78 CYP19A1 (0.51) CYP19A1CYP11B2CYP11B1CYP17A1SIRT2

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 3499/4885CYP11B2 1338/4885CYP11B1 1482/4885
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SLC25A11, ELAVL1, SLC26A3 CYP19A1 3499/4885CYP11B2 1338/4885CYP11B1 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.