SCHEMBL20726714

SCHEMBL20726714

N#Cc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cc6cccnc6c6ncccc56)cc4)nc(-c4ccc(-c5cc6cccnc6c6ncccc56)cc4)n3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.44
CCR1 P32246 2/20 0.43
CCR8 P51685 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
FABP1 P07148 1/20 0.42
PARP1 P09874 1/20 0.41
CYP11B2 P19099 3/20 0.40
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CYP11B1 P15538 2/20 0.39
GLO1 Q04760 1/20 0.38
ABCB1 P08183 2/20 0.38
SLC40A1 Q9NP59 1/20 0.37
TDO2 P48775 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37

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
SCHEMBL20726800 0.99 ABCG2 (0.44) ABCG2CCR1CCR8L3MBTL1FABP1
SCHEMBL20726920 0.93 ABCG2 (0.43) ABCG2CCR1CCR8L3MBTL1FABP1
SCHEMBL20726801 0.91 ABCG2 (0.44) ABCG2CCR1CCR8L3MBTL1FABP1
SCHEMBL24029930 0.90 ABCG2 (0.43) ABCG2CCR1CCR8L3MBTL1FABP1
SCHEMBL24030077 0.87 ABCG2 (0.42) ABCG2CCR1CCR8L3MBTL1FABP1
SCHEMBL20726761 0.86 CCR1 (0.44) ABCG2CCR1CCR8L3MBTL1FABP1
SCHEMBL20726711 0.85 CCR1 (0.49) ABCG2CCR1CCR8L3MBTL1PDE4A
SCHEMBL20726876 0.84 CCR1 (0.46) ABCG2CCR1CCR8L3MBTL1FABP1
SCHEMBL21396192 0.84 PGR (0.40) CCR1CCR8L3MBTL1FABP1PARP1
SCHEMBL20713483 0.84 FABP1 (0.41) ABCG2CCR1CCR8L3MBTL1FABP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3441391-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2020-09-02 EP disclosed
US-20190051841-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-02-14 US disclosed
EP-3441391-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Display Co., Ltd. (KR) 2019-02-13 EP 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 (1 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-20190051841-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME AOC2, CYP1A1, CRY1 ABCG2 3049/4885CCR1 2508/4885CCR8 3502/4885

“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.