SCHEMBL16692158

SCHEMBL16692158

Cn1c(-c2ccc(-c3ccc4c(-c5ccc(-c6nc7c8ccccc8ccc7n6C)cc5)cccc4c3)cc2)nc2c3ccccc3ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.42
ENPP3 O14638 1/20 0.40
ENPP1 P22413 1/20 0.40
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
KDM4E B2RXH2 2/20 0.38
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 1/20 0.37
ALK Q9UM73 1/20 0.36
FLT3 P36888 1/20 0.35
CREBBP Q92793 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TLR8 Q9NR97 2/20 0.35
PARP1 P09874 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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 0.91 TLR7 (0.49) TLR7ENPP3ENPP1CA12CA1
SCHEMBL16692144 0.87 TLR7 (0.48) TLR7CA12CA1CA2CA9
SCHEMBL10019146 0.86 TLR7 (0.43) TLR7CA12CA1CA2CA9
SCHEMBL16692187 0.85 TLR7 (0.46) TLR7ENPP3ENPP1CA1CA2
SCHEMBL16692201 0.84 TLR7 (0.48) TLR7CA12CA1CA2CA9
SCHEMBL13632792 0.83 TLR7 (0.42) TLR7ENPP3ENPP1CA1CA2
SCHEMBL20276025 0.83 CA12 (0.33) TLR7CA12CA1CA2CA9
SCHEMBL16692157 0.81 KDM4E (0.43) TLR7ENPP3ENPP1CA12CA1
SCHEMBL16692159 0.81 PDE10A (0.51) TLR7CA12CA1CA2CA9
SCHEMBL16692160 0.81 ALDH1A1 (0.56) CA1CA2KDM4EHDAC8HDAC6

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 9 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-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 3403/4885ENPP3 1051/4885ENPP1 617/4885
US-11342508-B2 Organic light-emitting device CRY1, CRY2, NR2E3 TLR7 3803/4885ENPP3 1971/4885ENPP1 2452/4885
US-20180175302-A1 ORGANIC LIGHT-EMITTING DEVICE CRY1, CRY2, NR2E3 TLR7 3803/4885ENPP3 1971/4885ENPP1 2452/4885
US-11362280-B2 Organic light-emitting device CRY1, CRY2, NR2E3 TLR7 3803/4885ENPP3 1971/4885ENPP1 2452/4885

“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.