SCHEMBL16692201

SCHEMBL16692201

Cn1c(-c2ccc(-c3cc4ccccc4cc3-c3ccc(-c4nc5c6ccccc6ccc5n4C)cc3)cc2)nc2c3ccccc3ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.48
TLR8 Q9NR97 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
PKM P14618 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
PARP1 P09874 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
MAPK9 P45984 1/20 0.38
MAPK14 Q16539 1/20 0.38
HPGD P15428 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
SCHEMBL16692216 0.90 TLR7 (0.49) TLR7TLR8ALDH1A1KDM4EPKM
SCHEMBL11184964 0.87 TLR7 (0.51) TLR7TLR8ALDH1A1KDM4EPKM
SCHEMBL9611690 0.86 TLR7 (0.61) TLR7TLR8ALDH1A1KDM4EPKM
SCHEMBL16692187 0.86 TLR7 (0.46) TLR7TLR8ALDH1A1KDM4EPKM
SCHEMBL16692144 0.86 TLR7 (0.48) TLR7TLR8ALDH1A1KDM4EPKM
SCHEMBL11073129 0.84 PARP1 (0.55) TLR7ALDH1A1KDM4ERAB9ANPC1
SCHEMBL16692158 0.84 TLR7 (0.42) TLR7TLR8ALDH1A1KDM4EPKM
SCHEMBL11099196 0.84 TLR7 (0.49) TLR7TLR8ALDH1A1KDM4EPKM
SCHEMBL11184987 0.84 NPC1 (0.57) TLR7TLR8ALDH1A1KDM4EPKM
SCHEMBL11448854 0.84 TLR7 (0.49) TLR7TLR8ALDH1A1KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11362280-B2 Organic light-emitting device LG CHEM, LTD. (KR) 2022-06-14 US disclosed
US-11342508-B2 Organic light-emitting device LG CHEM, LTD. (KR) 2022-05-24 US disclosed
EP-2749560-B1 Novel nitrogen-containing heterocyclic compounds and organic electronic device using same LG CHEMICAL LTD (KR) 2019-10-02 EP disclosed
EP-3434670-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING SAME LG Chem, Ltd. (KR) 2019-01-30 EP disclosed
US-20180175302-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2018-06-21 US disclosed
US-20180175302-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2018-06-21 US disclosed
US-9666812-B2 Nitrogen-containing heterocyclic compound and organic electronic device using same LG CHEM, LTD. (KR) 2017-05-30 US disclosed
US-9666812-B2 Nitrogen-containing heterocyclic compound and organic electronic device using same LG CHEM, LTD. (KR) 2017-05-30 US disclosed
US-20150123089-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2015-05-07 US disclosed
US-20150123089-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2015-05-07 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 (4 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-20150123089-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING SAME ODC1, OR10J3, NPM1 TLR7 3403/4885TLR8 1814/4885ALDH1A1 2965/4885
US-11342508-B2 Organic light-emitting device CRY1, CRY2, NR2E3 TLR7 3803/4885TLR8 3510/4885ALDH1A1 103/4885
US-20180175302-A1 ORGANIC LIGHT-EMITTING DEVICE CRY1, CRY2, NR2E3 TLR7 3803/4885TLR8 3510/4885ALDH1A1 103/4885
US-11362280-B2 Organic light-emitting device CRY1, CRY2, NR2E3 TLR7 3803/4885TLR8 3510/4885ALDH1A1 103/4885

“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.