SCHEMBL9973764

SCHEMBL9973764

c1cncc(-c2cc(-c3ncc(-c4ccc(-c5cnc(-c6cccc(-c7cccnc7)n6)s5)c5ccccc45)s3)ccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.46
PRKDC P78527 2/20 0.43
CYP19A1 P11511 5/20 0.42
ROS1 P08922 2/20 0.41
CYP2A6 P11509 3/20 0.41
HSD17B1 P14061 2/20 0.40
HSD17B2 P37059 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
PRKD3 O94806 1/20 0.38
ABL1 P00519 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38
PDGFRB P09619 1/20 0.38
BCR P11274 1/20 0.38
SRC P12931 1/20 0.38
PDGFRA P16234 1/20 0.38

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 0.92 HPGDS (0.53) HPGDSPRKDCCYP19A1ROS1CYP2A6
SCHEMBL9973691 0.91 HPGDS (0.48) HPGDSPRKDCCYP19A1CYP2A6NPC1
SCHEMBL9973759 0.86 HPGDS (0.50) HPGDSPRKDCCYP19A1CYP2A6CYP3A4
SCHEMBL9973768 0.86 HPGDS (0.53) HPGDSPRKDCCYP19A1ROS1CYP2A6
SCHEMBL9973741 0.83 HPGDS (0.56) HPGDSCYP19A1CYP2A6HSD17B1HSD17B2
SCHEMBL9973692 0.82 HPGDS (0.49) HPGDSPRKDCCYP19A1CYP2A6NPC1
SCHEMBL9973686 0.82 HPGDS (0.54) HPGDSCYP19A1CYP2A6HSD17B1HSD17B2
SCHEMBL9973749 0.78 CYP2A6 (0.49) CYP19A1ROS1CYP2A6NPC1RAB9A
SCHEMBL9973683 0.76 HPGDS (0.52) HPGDSCYP19A1CYP2A6NPC1RAB9A
SCHEMBL9973760 0.75 CYP19A1 (0.51) CYP19A1ROS1CYP2A6LOXL2PRKD3

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 HPGDS 4088/4885PRKDC 4873/4885CYP19A1 3499/4885
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SLC25A11, ELAVL1, SLC26A3 HPGDS 4088/4885PRKDC 4873/4885CYP19A1 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.