SCHEMBL20726737

SCHEMBL20726737

N#Cc1ccc(-c2nc(-c3cccc(-c4cnc5c(ccc6cccnc65)c4)c3)nc(-c3cccc(-c4cnc5c(ccc6cccnc65)c4)c3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.51
CYP11B2 P19099 3/20 0.46
CYP11B1 P15538 2/20 0.46
CYP17A1 P05093 1/20 0.46
CLK4 Q9HAZ1 1/20 0.43
PDE4D Q08499 2/20 0.42
FABP1 P07148 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4C Q08493 1/20 0.42
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
ADORA2A P29274 1/20 0.41
GLO1 Q04760 1/20 0.40
RIPK1 Q13546 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
ABCG2 Q9UNQ0 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
SCHEMBL20726898 0.99 PARP1 (0.53) PARP1CYP11B2CYP11B1CYP17A1CLK4
SCHEMBL20726741 0.93 PARP1 (0.55) PARP1CYP11B2CYP11B1CYP17A1PDE4D
SCHEMBL20726707 0.93 PARP1 (0.55) PARP1CYP11B2CYP11B1CYP17A1PDE4D
SCHEMBL25850745 0.89 PARP1 (0.54) PARP1CYP11B2CYP11B1CYP17A1CLK4
SCHEMBL20726701 0.86 KDM4E (0.51) PARP1CYP11B2CYP11B1CYP17A1CLK4
SCHEMBL23921423 0.86 KDM4E (0.50) PARP1CYP11B2CYP11B1CYP17A1CLK4
SCHEMBL20726703 0.86 KDM4E (0.50) PARP1CYP11B2CYP11B1CYP17A1CLK4
SCHEMBL30298726 0.86 KDM4E (0.50) PARP1CYP11B2CYP11B1CYP17A1CLK4
SCHEMBL20732523 0.85 CYP17A1 (0.49) PARP1CYP11B2CYP11B1CYP17A1CCR1
SCHEMBL20726693 0.84 CLK4 (0.43) PARP1CYP11B2CYP11B1CYP17A1CLK4

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 PARP1 326/4885CYP11B2 168/4885CYP11B1 227/4885

“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.