SCHEMBL22711631

SCHEMBL22711631

COC(=O)c1ccc2c(n1)C1(CCC(=O)CC1)C(=O)N2

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IP6K1 Q92551 5/20 0.44
▸ CRBN Q96SW2 4/20 0.39
▸ PARP1 P09874 3/20 0.38
▸ MAPK1 P28482 2/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32

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
SCHEMBL30681131 0.85 IP6K1 (0.49) IP6K1CRBNPARP1BACE1
SCHEMBL29930715 0.85 IP6K1 (0.49) IP6K1CRBNPARP1BACE1
SCHEMBL20066150 0.79 MEN1 (0.35) IP6K1CRBN
SCHEMBL23778395 0.76 MEN1 (0.36) IP6K1
SCHEMBL22711766 0.75 IP6K1 (0.38) IP6K1BACE1
SCHEMBL30681138 0.75 IP6K1 (0.38) IP6K1BACE1
SCHEMBL22711790 0.74 PDE4A (0.36) IP6K1
SCHEMBL22711811 0.73 IP6K1 (0.56) IP6K1CRBNMAPK1
SCHEMBL30681102 0.72 IP6K1 (0.44) IP6K1CRBNPARP1BACE1
SCHEMBL28728372 0.70 MAPK14 (0.40) IP6K1CRBNPARP1MAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250346572-A1 NON-ACID INHIBITORS OF INOSITOL HEXAKISPHOSPHATE KINASE (IP6K) AND METHODS OF USE THEREOF LIEBER INST INC (US) 2025-11-13 — — US disclosed
EP-4539838-A1 NON-ACID INHIBITORS OF INOSITOL HEXAKISPHOSPHATE KINASE (IP6K) AND METHODS OF USE THEREOF Lieber Institute, Inc. (US) 2025-04-23 — — EP disclosed
WO-2023244657-A1 NON-ACID INHIBITORS OF INOSITOL HEXAKISPHOSPHATE KINASE (IP6K) AND METHODS OF USE THEREOF LIEBER INSTITUTE, INC. (US) 2023-12-21 — — WO disclosed
US-10968178-B2 IP6K inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-06 — — US disclosed
US-20200377458-A1 IP6K INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-03 — — US 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 (3 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-20250346572-A1 NON-ACID INHIBITORS OF INOSITOL HEXAKISPHOSPHATE KINASE (IP6K) AND METHODS OF USE THEREOF IP6K1, IP6K2, IP6K3 IP6K1 1/4885CRBN 4013/4885PARP1 3840/4885
US-20200377458-A1 IP6K INHIBITORS IP6K1, IP6K2, IP6K3 IP6K1 1/4885CRBN 3683/4885PARP1 4130/4885
US-10968178-B2 IP6K inhibitors IP6K1, IP6K2, IP6K3 IP6K1 1/4885CRBN 3683/4885PARP1 4130/4885

“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.

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