SCHEMBL21586331

SCHEMBL21586331

O=C(CSc1nc2nccnc2c(=O)n1Cc1ccccc1)Nc1nccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3C2A O00443 18/20 1.00
PIK3C2B O00750 2/20 0.83
PIK3C2G O75747 1/20 0.83
HTT P42858 1/20 0.64
HSD17B10 Q99714 1/20 0.64
MAPK1 P28482 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
TDP1 Q9NUW8 1/20 0.62

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
SCHEMBL30002947 1.00 PIK3C2A (1.00) PIK3C2APIK3C2BPIK3C2GHTTHSD17B10
SCHEMBL30002534 0.91 PIK3C2A (1.00) PIK3C2APIK3C2BPIK3C2G
SCHEMBL21586332 0.91 PIK3C2A (1.00) PIK3C2APIK3C2BPIK3C2G
SCHEMBL30003110 0.86 PIK3C2A (0.75) PIK3C2APIK3C2BPIK3C2G
SCHEMBL30002516 0.86 PIK3C2A (0.75) PIK3C2APIK3C2BPIK3C2G
SCHEMBL21586341 0.86 PIK3C2A (0.75) PIK3C2APIK3C2BPIK3C2G
SCHEMBL21586310 0.86 PIK3C2A (0.75) PIK3C2APIK3C2BPIK3C2G
SCHEMBL21586309 0.86 PIK3C2A (1.00) PIK3C2APIK3C2BPIK3C2G
SCHEMBL30003012 0.86 PIK3C2A (1.00) PIK3C2APIK3C2BPIK3C2G
SCHEMBL21586346 0.83 PIK3C2A (1.00) PIK3C2APIK3C2BPIK3C2G

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 6 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
EP-3802530-A1 HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS Forschungsverbund Berlin E.V. (DE) 2021-04-14 EP disclosed
WO-2019234237-A1 HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS FORSCHUNGSVERBUND BERLIN E.V. (DE) 2019-12-12 WO 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 5/4885PIK3C2B 3/4885PIK3C2G 27/4885
US-20220332717-A1 HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS PIK3CA, PIK3CD, PIK3C2B PIK3C2A 5/4885PIK3C2B 3/4885PIK3C2G 27/4885

“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.