SCHEMBL9973741

SCHEMBL9973741

c1cncc(-c2cc(-c3ncc(-c4ccc(-c5cnc(-c6ccnc(-c7cccnc7)c6)s5)cc4)s3)ccn2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.56
CYP2A6 P11509 2/20 0.53
HSD17B1 P14061 3/20 0.52
HSD17B2 P37059 3/20 0.52
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP19A1 P11511 8/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
AXL P30530 1/20 0.45
PBRM1 Q86U86 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
DYRK1A Q13627 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
MAPKAPK2 P49137 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL9973743 0.88 HPGDS (0.53) HPGDSCYP2A6HSD17B1HSD17B2CYP3A4
SCHEMBL9973730 0.87 HPGDS (0.58) HPGDSCYP2A6HSD17B1HSD17B2CYP3A4
SCHEMBL9973768 0.84 HPGDS (0.53) HPGDSCYP2A6HSD17B1HSD17B2CYP3A4
SCHEMBL9973764 0.83 HPGDS (0.46) HPGDSCYP2A6HSD17B1HSD17B2CYP3A4
SCHEMBL9973721 0.83 HPGDS (0.60) HPGDSCYP2A6HSD17B1HSD17B2CYP3A4
SCHEMBL9975409 0.82 HPGDS (0.41) HPGDSCYP2A6HSD17B1HSD17B2CYP3A4
SCHEMBL9973771 0.81 HPGDS (0.62) HPGDSCYP2A6HSD17B1HSD17B2CYP3A4
SCHEMBL9973686 0.81 HPGDS (0.54) HPGDSCYP2A6HSD17B1HSD17B2CYP19A1
SCHEMBL9973683 0.79 HPGDS (0.52) HPGDSCYP2A6CYP19A1AXLPBRM1
SCHEMBL1760672 0.79 CYP2A6 (0.68) CYP2A6CYP3A4CYP2C9CYP19A1LOXL2

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-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 HPGDS 4088/4885CYP2A6 4405/4885HSD17B1 3889/4885
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SLC25A11, ELAVL1, SLC26A3 HPGDS 4088/4885CYP2A6 4405/4885HSD17B1 3889/4885

“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.