SCHEMBL21474442

SCHEMBL21474442

Nc1nnc(-c2cc(N3CCOCC3)cc(S(=O)(=O)c3ccccc3)c2)s1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.66
AKT1 P31749 8/20 0.66
MTOR P42345 8/20 0.66
PIK3C3 Q8NEB9 2/20 0.63
PKM P14618 1/20 0.53
TSHR P16473 1/20 0.53

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
Trifluoroacetic Acid SCHEMBL21465351 0.92 PIK3CA (0.57) PIK3CAAKT1MTORPIK3C3
SCHEMBL23438586 0.85 PIK3CA (0.72) PIK3CAAKT1MTOR
SCHEMBL21465344 0.82 PIK3CA (0.67) PIK3CAAKT1MTORPIK3C3PKM
SCHEMBL21464307 0.79 PIK3CA (1.00) PIK3CAAKT1MTOR
SCHEMBL21465348 0.78 PIK3CA (0.59) PIK3CAAKT1MTORPIK3C3PKM
SCHEMBL7316756 0.75 KDM4E (0.51)
SCHEMBL29922811 0.73 PIK3CA (1.00) PIK3CAAKT1MTOR
SCHEMBL23407475 0.73 PIK3CA (1.00) PIK3CAAKT1MTOR
SCHEMBL21464158 0.73 PKM (0.68) PIK3CAAKT1MTORPKMTSHR
SCHEMBL21469757 0.72 PIK3CA (1.00) PIK3CAAKT1MTOR

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.