SCHEMBL20726716

SCHEMBL20726716

c1ccc(-c2ccc(-c3nc(-c4cccc(-c5cc6cccnc6c6ncccc56)c4)nc(-c4cccc(-c5cc6cccnc6c6ncccc56)c4)n3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.45
CCR8 P51685 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
PIK3CD O00329 1/20 0.44
PDE4A P27815 2/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.40
CYP11B1 P15538 1/20 0.40
TOP1 P11387 3/20 0.39
CYP2C9 P11712 4/20 0.39
ABCG2 Q9UNQ0 4/20 0.38
BRD4 O60885 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
SCHEMBL20726910 0.97 CCR1 (0.47) CCR1CCR8L3MBTL1PIK3CDPDE4A
SCHEMBL17720982 0.96 CCR1 (0.44) CCR1CCR8L3MBTL1PIK3CDPDE4A
SCHEMBL19009572 0.96 CCR1 (0.44) CCR1CCR8L3MBTL1PIK3CDPDE4A
SCHEMBL22963643 0.94 ALDH1A1 (0.48) CCR1CCR8L3MBTL1PIK3CDPDE4A
SCHEMBL22963270 0.94 ALDH1A1 (0.48) CCR1CCR8L3MBTL1PIK3CDPDE4A
SCHEMBL22963326 0.93 ALDH1A1 (0.47) CCR1CCR8L3MBTL1PIK3CDPDE4A
SCHEMBL22963717 0.93 ALDH1A1 (0.47) CCR1CCR8L3MBTL1PIK3CDPDE4A
SCHEMBL22963627 0.93 ALDH1A1 (0.47) CCR1CCR8L3MBTL1PIK3CDPDE4A
SCHEMBL22963721 0.93 ALDH1A1 (0.47) CCR1CCR8L3MBTL1PIK3CDPDE4A
SCHEMBL22963581 0.93 ALDH1A1 (0.47) CCR1CCR8L3MBTL1PIK3CDPDE4A

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 CCR1 2508/4885CCR8 3502/4885L3MBTL1 370/4885

“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.