SCHEMBL9973686

SCHEMBL9973686

c1cncc(-c2cccc(-c3ncc(-c4ccc(-c5cnc(-c6cccc(-c7cccnc7)n6)s5)cc4)s3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.54
CYP2A6 P11509 3/20 0.51
CYP19A1 P11511 10/20 0.46
AXL P30530 1/20 0.46
PBRM1 Q86U86 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
PTK2 Q05397 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDR P35968 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
KARS1 Q15046 1/20 0.42

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
SCHEMBL9973683 0.90 HPGDS (0.52) HPGDSCYP2A6CYP19A1AXLPBRM1
SCHEMBL2732549 0.88 HPGDS (0.55) HPGDSCYP2A6CYP19A1AXLPBRM1
SCHEMBL9973691 0.88 HPGDS (0.48) HPGDSCYP2A6CYP19A1AXLPBRM1
SCHEMBL9973759 0.83 HPGDS (0.50) HPGDSCYP2A6CYP19A1AXLPBRM1
SCHEMBL9973692 0.83 HPGDS (0.49) HPGDSCYP2A6CYP19A1AXLPBRM1
SCHEMBL9973764 0.82 HPGDS (0.46) HPGDSCYP2A6CYP19A1AXLPBRM1
SCHEMBL12639177 0.82 HPGDS (0.39) HPGDSCYP2A6CYP19A1AXLPBRM1
SCHEMBL9973741 0.81 HPGDS (0.56) HPGDSCYP2A6CYP19A1AXLPBRM1
SCHEMBL18173959 0.80 HPGDS (0.59) HPGDSCYP2A6CYP19A1AXLPBRM1
SCHEMBL9973695 0.80 CYP2A6 (0.53) CYP2A6CYP19A1AXLPBRM1MKNK1

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 HPGDS 4088/4885CYP2A6 4405/4885CYP19A1 3499/4885
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SLC25A11, ELAVL1, SLC26A3 HPGDS 4088/4885CYP2A6 4405/4885CYP19A1 3499/4885

“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.