SCHEMBL20726844

SCHEMBL20726844

c1cc(-c2cnc3c(ccc4cccnc43)c2)cc(-c2nc(-c3cccc(-c4cnc5c(ccc6cccnc65)c4)c3)nc(-c3ccc4oc5ccccc5c4c3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.39
CCR8 P51685 4/20 0.39
CCR5 P51681 2/20 0.39
MAPT P10636 3/20 0.38
NPC1 O15118 1/20 0.38
PGR P06401 1/20 0.38
KDM4E B2RXH2 4/20 0.38
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
GRM4 Q14833 1/20 0.36
PLA2G10 O15496 1/20 0.36
PLA2G2A P14555 1/20 0.36
PLA2G4A P47712 1/20 0.36
TSHR P16473 2/20 0.36
MTOR P42345 2/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL20726843 0.93 CCR1 (0.41) CCR1CCR8CCR5MAPTNPC1
SCHEMBL15582305 0.92 CCR1 (0.43) CCR1CCR8CCR5MAPTNPC1
SCHEMBL15394436 0.91 CCR1 (0.43) CCR1CCR8CCR5MAPTNPC1
SCHEMBL15394594 0.87 CCR1 (0.42) CCR1CCR8CCR5MAPTNPC1
SCHEMBL21791117 0.86 CCR1 (0.44) CCR1CCR8CCR5MAPTNPC1
SCHEMBL19767460 0.86 NPC1 (0.44) MAPTNPC1PGRKDM4ECASP3
SCHEMBL20726672 0.85 MAPT (0.39) CCR1CCR8CCR5MAPTNPC1
SCHEMBL20726665 0.85 MAPT (0.40) CCR1CCR8MAPTNPC1KDM4E
SCHEMBL20732523 0.84 CYP17A1 (0.49) CCR1CCR8CCR5MAPTNPC1
SCHEMBL20726694 0.84 PDE4D (0.39) CCR1CCR8CCR5MAPTNPC1

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 3502/4885CCR5 4041/4885

“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.