SCHEMBL29742016

SCHEMBL29742016

Nc1ccc(N2CC(O)C2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 6/20 0.45
▸ CHRNA4 P43681 6/20 0.45
▸ CHRNB4 P30926 4/20 0.41
▸ CHRNA3 P32297 4/20 0.41
▸ CDK1 P06493 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ NOS3 P29474 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ GABRP O00591 1/20 0.36
▸ GABRD O14764 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRB1 P18505 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ GABRA2 P47869 1/20 0.36
▸ GABRB2 P47870 1/20 0.36
▸ GABRA4 P48169 1/20 0.36
▸ GABRE P78334 1/20 0.36

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
SCHEMBL162438 1.00 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3CDK1
SCHEMBL4528273 0.88 CDK1 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CDK1
SCHEMBL4721289 0.88 CDK1 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CDK1
SCHEMBL29618159 0.88 CDK1 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CDK1
SCHEMBL13769145 0.88 CDK1 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CDK1
SCHEMBL30316026 0.85 SMPD3 (0.47) CHRNB2CHRNA4CDK1CDK2SMN1; SMN2
SCHEMBL17796348 0.85 SMPD3 (0.47) CHRNB2CHRNA4CDK1CDK2SMN1; SMN2
SCHEMBL17799085 0.85 SMPD3 (0.47) CHRNB2CHRNA4CDK1CDK2SMN1; SMN2
SCHEMBL17054803 0.85 SMPD3 (0.47) CHRNB2CHRNA4CDK1CDK2SMN1; SMN2
SCHEMBL30316041 0.85 SMPD3 (0.47) CHRNB2CHRNA4CDK1CDK2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120092003-A CDK protein degrading agents, pharmaceutical compositions and therapeutic uses 拜欧斯瑞克斯公司 2025-06-03 — — CN disclosed
US-20240270747-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2024-08-15 — — US disclosed
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2023-09-07 — — US disclosed
EP-4050012-A1 PYRIDONE BORONATES FOR THE PREPARATION OF INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-08-31 — — EP disclosed
EP-4019508-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-06-29 — — 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-20240270747-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 CHRNB2 1857/4885CHRNA4 1717/4885CHRNB4 1704/4885
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 CHRNB2 1857/4885CHRNA4 1717/4885CHRNB4 1704/4885

“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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