SCHEMBL9973732

SCHEMBL9973732

c1cncc(-c2cc(-c3ccc4c5ccc(-c6ccnc(-c7cccnc7)c6)cc5n(-c5cccc6ccccc56)c4c3)ccn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.45
CYP19A1 P11511 2/20 0.41
CYP11B1 P15538 2/20 0.41
CYP17A1 P05093 1/20 0.41
CYP11B2 P19099 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
PRKDC P78527 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1B1 Q16678 1/20 0.39
PIM1 P11309 2/20 0.38
PIM3 Q86V86 2/20 0.38
PIM2 Q9P1W9 2/20 0.38
GSK3B P49841 2/20 0.38
CYP2C9 P11712 1/20 0.38
METAP2 P50579 1/20 0.37
FHIT P49789 1/20 0.37
PIK3CA P42336 1/20 0.37

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
SCHEMBL9973761 0.96 CYP2A6 (0.41) CYP2A6CYP19A1CYP11B1CYP17A1CYP11B2
SCHEMBL9973715 0.89 CYP11B1 (0.44) CYP2A6CYP19A1CYP11B1CYP17A1CYP11B2
SCHEMBL16512000 0.88 CYP11B1 (0.50) CYP2A6CYP19A1CYP11B1CYP17A1CYP11B2
SCHEMBL9973679 0.87 CYP19A1 (0.43) CYP2A6CYP19A1CYP11B1CYP17A1CYP11B2
SCHEMBL16512003 0.80 MAPT (0.40) KDM4ECYP1A1CYP1A2KMT2ACYP1B1
SCHEMBL16512618 0.80 IRAK4 (0.40) PRKDCKDM4ECYP1A1CYP1A2CYP1B1
SCHEMBL2018409 0.80 CYP11B1 (0.44) CYP2A6CYP19A1CYP11B1CYP17A1CYP11B2
SCHEMBL12554404 0.79 CYP11B1 (0.44) CYP2A6CYP19A1CYP11B1CYP17A1CYP11B2
SCHEMBL16512203 0.78 DHODH (0.40) KDM4ECYP1A1CYP1A2CYP1B1METAP2
SCHEMBL9973676 0.78 CYP19A1 (0.43) CYP2A6CYP19A1CYP11B1CYP17A1CYP11B2

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 4405/4885CYP19A1 3499/4885CYP11B1 1482/4885
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SLC25A11, ELAVL1, SLC26A3 CYP2A6 4405/4885CYP19A1 3499/4885CYP11B1 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.