SCHEMBL27201332

SCHEMBL27201332

Nc1nc(NC2CC2)nc(N2CCOC(c3ccccc3Br)C2)n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.38
PIK3CB P42338 4/20 0.35
PKM P14618 1/20 0.34
NAPEPLD Q6IQ20 1/20 0.33
PIK3CD O00329 2/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIK3R1 P27986 1/20 0.32

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
SCHEMBL30834094 0.82 NUDT1 (0.51) PIK3CB
SCHEMBL30834134 0.79 GSK3B (0.43)
SCHEMBL27201365 0.75 CYP3A4 (0.33)
SCHEMBL30834128 0.75 HRH4 (0.40) PIK3CAPIK3CBTSHR
SCHEMBL30834101 0.73 CYP1A2 (0.36) PIK3CAPIK3CB
SCHEMBL30834201 0.73 HRH4 (0.50) PIK3CAMTORPIK3R1
SCHEMBL11520095 0.71 LMNA (0.51) PIK3CAPIK3CBPKMMTORSMN1; SMN2
SCHEMBL30834077 0.71 HRH4 (0.53) PIK3CBNAPEPLD
SCHEMBL30885264 0.71 HRH4 (0.53) PIK3CBNAPEPLD
SCHEMBL30834226 0.71 HRH4 (0.53) PIK3CBNAPEPLD

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-20240132464-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-25 US claimed
US-20240132464-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-25 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-20240132464-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS GID4, MDM2, XIAP PIK3CA 990/4885PIK3CB 615/4885PKM 1067/4885

“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.