SCHEMBL22975005

SCHEMBL22975005

c1ccc(Nc2cc(N3CCCc4ccccc43)cc(N3CCCc4ccccc43)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.43
EED O75530 1/20 0.43
ROCK1 Q13464 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
OPRM1 P35372 1/20 0.41
AKT1 P31749 1/20 0.40
PIK3CA P42336 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39

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
SCHEMBL23917435 0.92 ROCK1 (0.40) NUDT1EEDROCK1CHRM2CHRM4
SCHEMBL23908721 0.87 EED (0.38) NUDT1EEDROCK1CHRM2CHRM4
SCHEMBL29478502 0.79 ROCK1 (0.51) NUDT1ROCK1OPRM1SMN1; SMN2SIGMAR1
SCHEMBL693233 0.79 ROCK1 (0.51) NUDT1ROCK1OPRM1SMN1; SMN2SIGMAR1
SCHEMBL23917713 0.78 SPR (0.49) NUDT1EEDROCK1AKT1PIK3CA
SCHEMBL618870 0.74 OPRM1 (0.48) ROCK1OPRM1SMN1; SMN2SIGMAR1L3MBTL1
SCHEMBL23917712 0.73 ROCK1 (0.39) NUDT1EEDROCK1OPRM1AKT1
SCHEMBL17374725 0.72 OPRM1 (0.47) NUDT1EEDROCK1OPRM1AKT1
SCHEMBL23908719 0.71 ROCK1 (0.43) NUDT1ROCK1OPRM1AKT1PIK3CA
SCHEMBL23917695 0.71 ROCK1 (0.40) NUDT1EEDROCK1OPRM1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839151-B2 Organic electroluminescence device and fused polycyclic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-12-05 US disclosed
US-11839151-B2 Organic electroluminescence device and fused polycyclic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-12-05 US disclosed
US-11839151-B2 Organic electroluminescence device and fused polycyclic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-12-05 US disclosed
EP-3778610-B1 ORGANIC ELECTROLUMINESCENCE DEVICE AND FUSED POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO LTD (KR) 2022-12-14 EP disclosed
CN-112397662-A Organic electroluminescent device 三星显示有限公司 2021-02-23 CN disclosed
US-20210050525-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND FUSED POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2021-02-18 US disclosed
US-20210050525-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND FUSED POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2021-02-18 US disclosed
EP-3778610-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND FUSED POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE Samsung Display Co., Ltd. (KR) 2021-02-17 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 (2 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-11839151-B2 Organic electroluminescence device and fused polycyclic compound for organic electroluminescence device LEF1, PIEZO1, OCIAD1 NUDT1 2380/4885EED 55/4885ROCK1 1658/4885
US-20210050525-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND FUSED POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE LEF1, PIEZO1, OCIAD1 NUDT1 2380/4885EED 55/4885ROCK1 1658/4885

“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.