SCHEMBL21474462

SCHEMBL21474462

Cc1nc(N)sc1-c1cc(C[C@@H]2CCOC2)cc(N2CCOCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.47
PIK3C3 Q8NEB9 3/20 0.47
AKT1 P31749 10/20 0.45
MTOR P42345 7/20 0.45
CCNT1 O60563 2/20 0.44
CDK2 P24941 2/20 0.44
CDK9 P50750 2/20 0.44
CDC7 O00311 1/20 0.44
PLK4 O00444 1/20 0.44
CIT O14578 1/20 0.44
CHEK1 O14757 1/20 0.44
AURKA O14965 1/20 0.44
GAK O14976 1/20 0.44
EPHB6 O15197 1/20 0.44
PDPK1 O15530 1/20 0.44
DAPK3 O43293 1/20 0.44
RIPK2 O43353 1/20 0.44
BUB1 O43683 1/20 0.44
JAK2 O60674 1/20 0.44
ROCK2 O75116 1/20 0.44

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
SCHEMBL29368928 1.00 PIK3CA (0.47) PIK3CAPIK3C3AKT1MTORCCNT1
SCHEMBL21474456 1.00 PIK3CA (0.47) PIK3CAPIK3C3AKT1MTORCCNT1
SCHEMBL29369928 0.95 PIK3CA (0.47) PIK3CAPIK3C3AKT1MTORCCNT1
SCHEMBL21474440 0.95 PIK3CA (0.47) PIK3CAPIK3C3AKT1MTORCCNT1
SCHEMBL21474450 0.79 PIK3CA (0.48) PIK3CAPIK3C3AKT1MTORCCNT1
SCHEMBL29369416 0.79 PIK3CA (0.48) PIK3CAPIK3C3AKT1MTORCCNT1
SCHEMBL21474447 0.79 PIK3CA (0.48) PIK3CAPIK3C3AKT1MTORCCNT1
SCHEMBL21474463 0.78 PIK3CA (0.51) PIK3CAPIK3C3AKT1MTORCCNT1
SCHEMBL21474452 0.78 PIK3CA (0.51) PIK3CAPIK3C3AKT1MTORCCNT1
SCHEMBL21474457 0.78 PIK3CA (0.49) PIK3CAPIK3C3AKT1MTORCCNT1

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.