SCHEMBL20726701

SCHEMBL20726701

c1ccc(-c2ccc(-c3nc(-c4cccc(-c5cnc6c(ccc7cccnc76)c5)c4)nc(-c4cccc(-c5cnc6c(ccc7cccnc76)c5)c4)n3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
CCR1 P32246 2/20 0.47
CCR5 P51681 2/20 0.47
CCR8 P51685 2/20 0.47
PARP1 P09874 1/20 0.46
GMNN O75496 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MMP2 P08253 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
MMP9 P14780 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
MMP8 P22894 1/20 0.43
THPO P40225 1/20 0.43
MTOR P42345 1/20 0.43

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
SCHEMBL20726703 0.97 KDM4E (0.50) KDM4ECCR1CCR5CCR8PARP1
SCHEMBL23921423 0.97 KDM4E (0.50) KDM4ECCR1CCR5CCR8PARP1
SCHEMBL30298726 0.97 KDM4E (0.50) KDM4ECCR1CCR5CCR8PARP1
SCHEMBL20726787 0.94 CCR1 (0.49) KDM4ECCR1CCR5CCR8PARP1
SCHEMBL20726702 0.94 KDM4E (0.53) KDM4ECCR1CCR5CCR8PARP1
SCHEMBL23434687 0.94 KDM4E (0.53) KDM4ECCR1CCR5CCR8PARP1
SCHEMBL20726706 0.94 KDM4E (0.53) KDM4ECCR1CCR5CCR8PARP1
SCHEMBL20732523 0.93 CYP17A1 (0.49) KDM4ECCR1CCR5CCR8PARP1
SCHEMBL20726789 0.93 CCR1 (0.48) KDM4ECCR1CCR5CCR8PARP1
SCHEMBL28466113 0.91 KDM4E (0.45) KDM4ECCR1CCR5CCR8PARP1

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 KDM4E 4165/4885CCR1 2508/4885CCR5 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.