SCHEMBL31062632

SCHEMBL31062632

CC=CC(=O)N1CC(C(=O)NC)C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.35
▸ CHRNA4 P43681 2/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PDK2 Q15119 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ POLB P06746 2/20 0.31
▸ JAK3 P52333 3/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ APP P05067 1/20 0.30

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
SCHEMBL28661395 0.79 KRAS (0.38) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL30485061 0.77 JAK3 (0.37) JAK3
SCHEMBL21423636 0.74 POLB (0.52) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL21423710 0.74 CHRNB2 (0.45) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL4337331 0.74 CHRNB2 (0.41) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL30622409 0.72 GLRA1 (0.35) ALDH1A1POLBJAK3JAK1
SCHEMBL25977010 0.72 ALDH1A1 (0.31) ALDH1A1POLBJAK3JAK1
SCHEMBL25367205 0.71 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2
SCHEMBL23011801 0.69 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL25781363 0.69 CHRNB2 (0.37) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3

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-20240208957-A1 TRIAZINE DERIVATIVE AS REVERSIBLE AND IRREVERSIBLE COVALENT INHIBITORS OF PI3K UNIVERSITÄT BASEL (CH) 2024-06-27 — — 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-20240208957-A1 TRIAZINE DERIVATIVE AS REVERSIBLE AND IRREVERSIBLE COVALENT INHIBITORS OF PI3K PIK3R5, PIK3R3, PIK3R1 CHRNB2 4364/4885CHRNA4 4575/4885CHRNA7 4390/4885

“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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