SCHEMBL9973695

SCHEMBL9973695

c1cncc(-c2cccc(-c3nnc(-c4ccc(-c5nnc(-c6cccc(-c7cccnc7)n6)s5)cc4)s3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.53
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP19A1 P11511 11/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
AXL P30530 1/20 0.47
PBRM1 Q86U86 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
PTK2 Q05397 1/20 0.44

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
SCHEMBL9973694 0.87 CYP2A6 (0.49) CYP2A6KDM4ESMN1; SMN2CYP19A1RAB9A
SCHEMBL1107870 0.84 CYP2A6 (0.54) CYP2A6KDM4ESMN1; SMN2CYP19A1RAB9A
SCHEMBL678010 0.84 KDM4E (0.51) CYP2A6KDM4ESMN1; SMN2CYP19A1RAB9A
SCHEMBL10181969 0.82 CYP2A6 (0.67) CYP2A6KDM4ESMN1; SMN2CYP19A1RAB9A
SCHEMBL1107892 0.82 RAB9A (0.59) KDM4ESMN1; SMN2RAB9ANPC1MEN1
SCHEMBL3194702 0.81 CYP2A6 (0.74) CYP2A6KDM4ESMN1; SMN2CYP19A1RAB9A
SCHEMBL9973686 0.80 HPGDS (0.54) CYP2A6CYP19A1RAB9ANPC1AXL
SCHEMBL1424931 0.79 KDM4E (0.75) CYP2A6KDM4ESMN1; SMN2CYP19A1RAB9A
SCHEMBL9973683 0.79 HPGDS (0.52) CYP2A6KDM4ECYP19A1RAB9ANPC1
SCHEMBL12278881 0.76 HSD17B10 (0.55) KDM4ESMN1; SMN2RAB9ANPC1MEN1

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 4405/4885KDM4E 1968/4885SMN1; SMN2 1611/4885
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SLC25A11, ELAVL1, SLC26A3 CYP2A6 4405/4885KDM4E 1968/4885SMN1; SMN2 1611/4885

“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.