SCHEMBL21589381

SCHEMBL21589381

CC(C)(C)OC(=O)N1CCC(n2c(SCC(=O)Nc3nccs3)nc3nccnc3c2=O)CC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3C2A O00443 13/20 0.67
▸ ALDH1A1 P00352 2/20 0.62
▸ ALOX15 P16050 2/20 0.62
▸ LMNA P02545 2/20 0.62
▸ PIK3C2B O00750 1/20 0.51
▸ PIK3C2G O75747 1/20 0.51
▸ TSHR P16473 4/20 0.46
▸ PKM P14618 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ USP2 O75604 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HTT P42858 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
SCHEMBL21586289 0.88 PIK3C2A (0.72) PIK3C2AALDH1A1ALOX15LMNAPIK3C2B
SCHEMBL21589438 0.83 PIK3C2A (0.42) PIK3C2AALDH1A1ALOX15LMNATSHR
SCHEMBL21589383 0.81 PIK3C2A (0.72) PIK3C2AALDH1A1ALOX15LMNAPIK3C2B
SCHEMBL27224597 0.81 PIK3C2A (0.72) PIK3C2AALDH1A1ALOX15LMNAPIK3C2B
SCHEMBL30002990 0.81 PIK3C2A (1.00) PIK3C2AALDH1A1ALOX15LMNAPIK3C2B
SCHEMBL21586351 0.81 PIK3C2A (1.00) PIK3C2AALDH1A1ALOX15LMNAPIK3C2B
SCHEMBL21586285 0.80 PIK3C2A (0.75) PIK3C2AALDH1A1ALOX15LMNAPIK3C2B
SCHEMBL21586352 0.74 PIK3C2A (1.00) PIK3C2AALDH1A1ALOX15LMNAPIK3C2B
SCHEMBL30003900 0.74 PIK3C2A (1.00) PIK3C2AALDH1A1ALOX15LMNAPIK3C2B
SCHEMBL21586316 0.74 PIK3C2A (0.73) PIK3C2APIK3C2BPIK3C2GSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12247029-B2 Heterocyclic compounds as class II phosphoinositide 3-kinase inhibitors FORSCHUNGSVERBUND BERLIN E.V. (DE) 2025-03-11 — — US disclosed
EP-3802530-B1 HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS FORSCHUNGSVERBUND BERLIN EV (DE) 2024-05-29 — — EP disclosed
US-20220332717-A1 HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS FORSCHUNGSVERBUND BERLIN E.V. (DE) 2022-10-20 — — US disclosed
WO-2019234237-A1 HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS FORSCHUNGSVERBUND BERLIN E.V. (DE) 2019-12-12 — — 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 (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-12247029-B2 Heterocyclic compounds as class II phosphoinositide 3-kinase inhibitors PIK3CA, PIK3CD, PIK3C2B PIK3C2A 5/4885ALDH1A1 4380/4885ALOX15 2481/4885
US-20220332717-A1 HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS PIK3CA, PIK3CD, PIK3C2B PIK3C2A 5/4885ALDH1A1 4380/4885ALOX15 2481/4885

“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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