SCHEMBL27174136

SCHEMBL27174136

c1ccc2c(c1)sc1cccnc12.c1ccc2c(c1)sc1cccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.54
LIMK1 P53667 3/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
HSP90AA1 P07900 2/20 0.45
NPC1 O15118 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CLK1 P49759 1/20 0.44
MAPT P10636 5/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.42
ESR1 P03372 1/20 0.42
AGTR1 P30556 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42

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
SCHEMBL149872 1.00 GPR3 (0.54) GPR3LIMK1CDK5CDK5R1HSP90AA1
SCHEMBL30497067 0.98 GPR3 (0.52) GPR3LIMK1CDK5CDK5R1HSP90AA1
Triphenylene SCHEMBL29177914 0.98 GPR3 (0.52) GPR3LIMK1CDK5CDK5R1HSP90AA1
SCHEMBL29000719 0.86 PTPRC (0.46) GPR3LIMK1CDK5CDK5R1NPC1
Benzothiophene SCHEMBL28521466 0.86 LMNA (0.41) GPR3LIMK1CDK5CDK5R1HSP90AA1
SCHEMBL16406204 0.84 GPR3 (0.46) GPR3LIMK1CDK5CDK5R1HSP90AA1
SCHEMBL1376634 0.84 GPR3 (0.46) GPR3LIMK1HSP90AA1NPC1L3MBTL1
SCHEMBL10054253 0.84 LIMK1 (0.57) GPR3LIMK1HSP90AA1NPC1L3MBTL1
SCHEMBL11884995 0.81 LIMK1 (0.50) LIMK1HSP90AA1NPC1L3MBTL1CLK1
SCHEMBL34467237 0.80 LIMK1 (0.40) GPR3LIMK1HSP90AA1NPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092815-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2024-03-21 US 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-20240092815-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE LAGE3, GPX1, CRY1 GPR3 4580/4885LIMK1 96/4885CDK5 4008/4885

“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.