SCHEMBL23759728

SCHEMBL23759728

COc1cc(NCC2CCOCC2)c(Br)cc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ AAK1 Q2M2I8 2/20 0.43
▸ FYN P06241 3/20 0.41
▸ PTGER4 P35408 3/20 0.37
▸ UTS2R Q9UKP6 1/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ ACHE P22303 2/20 0.34
▸ KCNH3 Q9ULD8 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ HTR4 Q13639 2/20 0.34
▸ PDE6D O43924 1/20 0.34
▸ PDE6A P16499 1/20 0.34
▸ PDE6G P18545 1/20 0.34
▸ PDE6B P35913 1/20 0.34
▸ PDE6C P51160 1/20 0.34
▸ PDE6H Q13956 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ LRRK2 Q5S007 2/20 0.33
▸ CNR2 P34972 1/20 0.33

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
SCHEMBL23759716 0.84 UTS2R (0.45) POLBL3MBTL1AAK1FYNPTGER4
SCHEMBL23759731 0.81 PTGER4 (0.41) POLBPTGER4
SCHEMBL22965291 0.73 KMT2A (0.45) FYNPTGER4CHEK1ACHEKCNH3
SCHEMBL16042485 0.72 PTGER4 (0.46) PTGER4CHEK1KCNH3
SCHEMBL16035266 0.71 PTGER4 (0.41) AAK1PTGER4KCNH3CNR2
SCHEMBL3997126 0.71 AAK1 (0.46) AAK1PTGER4CHEK1KCNH3CNR2
SCHEMBL1565434 0.71 KCNH3 (0.41) PTGER4CHEK1KCNH3PDE6DPDE6A
SCHEMBL21256817 0.70 FYN (0.45) FYNACHEKCNH3BACE1PDE6D
SCHEMBL15749040 0.69 CHEK1 (0.40) PTGER4CHEK1KCNH3
SCHEMBL3996157 0.68 PTGER4 (0.67) PTGER4CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230131025-A1 QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2023-04-27 — — US disclosed
WO-2021160087-A1 QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF 贝达药业股份有限公司 2021-08-19 — — WO 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-20230131025-A1 QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF EGFR, ABL1, ERBB2 POLB 2165/4885L3MBTL1 3878/4885AAK1 1298/4885

“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.

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