SCHEMBL21474447

SCHEMBL21474447

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.48
AKT1 P31749 7/20 0.48
MTOR P42345 5/20 0.48
PIK3C3 Q8NEB9 3/20 0.47
EPHB4 P54760 2/20 0.43
CDC7 O00311 1/20 0.43
PLK4 O00444 1/20 0.43
CIT O14578 1/20 0.43
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
GAK O14976 1/20 0.43
EPHB6 O15197 1/20 0.43
PDPK1 O15530 1/20 0.43
DAPK3 O43293 1/20 0.43
RIPK2 O43353 1/20 0.43
BUB1 O43683 1/20 0.43
CCNT1 O60563 1/20 0.43
JAK2 O60674 1/20 0.43
ROCK2 O75116 1/20 0.43
RPS6KA4 O75676 1/20 0.43

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
SCHEMBL29369416 1.00 PIK3CA (0.48) PIK3CAAKT1MTORPIK3C3EPHB4
SCHEMBL21474450 1.00 PIK3CA (0.48) PIK3CAAKT1MTORPIK3C3EPHB4
SCHEMBL21474563 0.95 AKT1 (0.46) PIK3CAAKT1MTORPIK3C3EPHB4
SCHEMBL29369873 0.95 AKT1 (0.46) PIK3CAAKT1MTORPIK3C3EPHB4
SCHEMBL23438193 0.93 PIK3CA (0.41) PIK3CAAKT1MTORPIK3C3EPHB4
SCHEMBL21474451 0.80 PIK3CA (0.49) PIK3CAAKT1MTORPIK3C3EPHB4
SCHEMBL29369799 0.80 PIK3CA (0.49) PIK3CAAKT1MTORPIK3C3EPHB4
SCHEMBL21474462 0.79 PIK3CA (0.47) PIK3CAAKT1MTORPIK3C3EPHB4
SCHEMBL21474456 0.79 PIK3CA (0.47) PIK3CAAKT1MTORPIK3C3EPHB4
SCHEMBL29368928 0.79 PIK3CA (0.47) PIK3CAAKT1MTORPIK3C3EPHB4

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 114/4885AKT1 155/4885MTOR 52/4885
US-20210163467-A1 MORPHOLINE DERIVATES AS INHIBITORS OF VPS34 VPS35, TFEB, VPS4B PIK3CA 114/4885AKT1 155/4885MTOR 52/4885

“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.