SCHEMBL12249683

SCHEMBL12249683

CN(c1ccccc1)c1ccc(N(c2ccccc2)c2ccc3c(c2)c2c4ccccc4ccc2n3-c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSPO P30536 1/20 0.31
DHFR P00374 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGES O14684 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
REN P00797 1/20 0.30
ITK Q08881 1/20 0.30
JAK2 O60674 1/20 0.30
JAK3 P52333 1/20 0.30

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
SCHEMBL12249661 1.00 PDE5A (0.32) PDE5AKDM4EATML3MBTL1TSPO
SCHEMBL12249658 0.97 KDM4E (0.35) KDM4EATML3MBTL1DHFRPTGES
SCHEMBL18564787 0.94 PDE5A (0.36) PDE5AKDM4EATML3MBTL1TSPO
SCHEMBL23283954 0.94 KDM4E (0.35) KDM4EATML3MBTL1TSPOPTGES
SCHEMBL12249678 0.93 KDM4E (0.37) KDM4EATML3MBTL1DHFRALOX5
SCHEMBL22925453 0.93 KDM4E (0.36) KDM4EATML3MBTL1TSPOPTGES
SCHEMBL18564786 0.92 TSPO (0.35) PDE5AKDM4EATML3MBTL1TSPO
SCHEMBL18564793 0.92 TSPO (0.35) PDE5AKDM4EATML3MBTL1TSPO
SCHEMBL19735337 0.91 KDM4E (0.37) PDE5AKDM4EATML3MBTL1TSPO
SCHEMBL21450389 0.91 L3MBTL1 (0.39) KDM4EATML3MBTL1TSPOPTGES

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2796448-B1 Material for organic electronic device and organic electronic device using the same LG CHEMICAL LTD (KR) 2018-04-25 EP disclosed
US-9722188-B2 Material for organic electronic device, and organic electronic device using the same LG CHEM, LTD. (KR) 2017-08-01 US disclosed
US-9722188-B2 Material for organic electronic device, and organic electronic device using the same LG CHEM, LTD. (KR) 2017-08-01 US disclosed
US-9196845-B2 Material for organic electronic device, and organic electronic device using same LG CHEM, LTD. (KR) 2015-11-24 US disclosed
US-9196845-B2 Material for organic electronic device, and organic electronic device using same LG CHEM, LTD. (KR) 2015-11-24 US disclosed
US-20150333276-A1 MATERIAL FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2015-11-19 US disclosed
US-20150333276-A1 MATERIAL FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2015-11-19 US disclosed
US-9190618-B2 Material for organic electronic device, and organic electronic device using same LG CHEM, LTD. (KR) 2015-11-17 US disclosed
US-9190618-B2 Material for organic electronic device, and organic electronic device using same LG CHEM, LTD. (KR) 2015-11-17 US disclosed
US-9118023-B2 2015-08-25 US disclosed
US-9118023-B2 2015-08-25 US disclosed
US-20140231783-A1 MATERIAL FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2014-08-21 US disclosed
US-20140231783-A1 MATERIAL FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2014-08-21 US disclosed
US-20110210318-A1 MATERIAL FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2011-09-01 US disclosed
US-20110210318-A1 MATERIAL FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2011-09-01 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-20150333276-A1 MATERIAL FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE USING THE SAME OR51E2, EED, OR10J3 PDE5A 4688/4885KDM4E 810/4885ATM 2589/4885
US-20110210318-A1 MATERIAL FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE USING SAME OR51E2, OR10J3, EML4 PDE5A 4483/4885KDM4E 492/4885ATM 2480/4885

“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.