SCHEMBL21474561

SCHEMBL21474561

Cc1nc(N)sc1-c1cc(N2CCOCC2)cc(S(=O)(=O)C2CCOCC2)c1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.68
PIK3C3 Q8NEB9 2/20 0.68
AKT1 P31749 12/20 0.62
MTOR P42345 7/20 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
SCHEMBL29369788 1.00 PIK3CA (0.68) PIK3CAPIK3C3AKT1MTOR
SCHEMBL29369976 0.95 PIK3CA (0.76) PIK3CAPIK3C3AKT1MTOR
SCHEMBL21474459 0.95 PIK3CA (0.76) PIK3CAPIK3C3AKT1MTOR
SCHEMBL23438175 0.95 PIK3CA (0.76) PIK3CAPIK3C3AKT1MTOR
SCHEMBL21474461 0.95 PIK3CA (0.76) PIK3CAPIK3C3AKT1MTOR
SCHEMBL21465336 0.81 PIK3CA (1.00) PIK3CAPIK3C3AKT1MTOR
SCHEMBL23438764 0.81 PIK3CA (1.00) PIK3CAPIK3C3AKT1MTOR
SCHEMBL21465337 0.81 PIK3CA (1.00) PIK3CAPIK3C3AKT1MTOR
SCHEMBL21474440 0.81 PIK3CA (0.47) PIK3CAPIK3C3AKT1MTOR
SCHEMBL29369928 0.81 PIK3CA (0.47) PIK3CAPIK3C3AKT1MTOR

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
EP-3774792-B1 MORPHOLINE DERIVATES AS INHIBITORS OF VPS34 NEUROPORE THERAPIES INC (US) 2022-09-14 EP disclosed
US-11236079-B2 Morpholine derivates as inhibitors of Vps34 NEUROPORE THERAPIES, INC. (US) 2022-02-01 US disclosed
US-11236079-B2 Morpholine derivates as inhibitors of Vps34 NEUROPORE THERAPIES, INC. (US) 2022-02-01 US disclosed
US-20210163467-A1 MORPHOLINE DERIVATES AS INHIBITORS OF VPS34 NEUROPORE THERAPIES, INC. (US) 2021-06-03 US disclosed
US-20210163467-A1 MORPHOLINE DERIVATES AS INHIBITORS OF VPS34 NEUROPORE THERAPIES, INC. (US) 2021-06-03 US disclosed
WO-2019199874-A1 MORPHOLINE DERIVATES AS INHIBITORS OF VPS34 NEUROPORE THERAPIES, INC. (US) 2019-10-17 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-11236079-B2 Morpholine derivates as inhibitors of Vps34 VPS35, TFEB, VPS4B PIK3CA 114/4885PIK3C3 120/4885AKT1 155/4885
US-20210163467-A1 MORPHOLINE DERIVATES AS INHIBITORS OF VPS34 VPS35, TFEB, VPS4B PIK3CA 114/4885PIK3C3 120/4885AKT1 155/4885

“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.