Sugi Predict

Sugi Predict / Compounds / SCHEMBL29845192

SCHEMBL29845192

SCHEMBL29845192

CN(C)Cc1nc(NC(=O)OC(C)(C)C)ccc1C1CCOC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 10/20 0.40
▸ MAP4K1 Q92918 2/20 0.40
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ MAP4K3 Q8IVH8 1/20 0.35
▸ MINK1 Q8N4C8 1/20 0.35
▸ MAP4K5 Q9Y4K4 1/20 0.35
▸ MAPKAPK2 P49137 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ VNN1 O95497 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ GCK P35557 1/20 0.33
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 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
SCHEMBL23104525 1.00 CNR2 (0.40) CNR2MAP4K1CYP1A2CYP3A4CYP2D6
SCHEMBL28876620 1.00 CNR2 (0.40) CNR2MAP4K1CYP1A2CYP3A4CYP2D6
SCHEMBL29736432 0.95 CNR2 (0.39) CNR2MAP4K1CYP1A2CYP3A4CYP2D6
SCHEMBL23104425 0.95 CNR2 (0.39) CNR2MAP4K1CYP1A2CYP3A4CYP2D6
SCHEMBL23104353 0.91 CNR2 (0.39) CNR2MAP4K1MAPKAPK2CNR1GSK3B
SCHEMBL23104431 0.90 CNR2 (0.38) CNR2MAP4K1MAPKAPK2CNR1GSK3B
SCHEMBL23133821 0.90 CNR2 (0.38) CNR2MAP4K1MAPKAPK2CNR1GSK3B
SCHEMBL23104492 0.89 CNR2 (0.40) CNR2MAP4K1KCNH2MAPKAPK2CNR1
SCHEMBL23103827 0.89 CNR2 (0.44) CNR2MAPKAPK2CNR1GSK3BDYRK1A
SCHEMBL29736422 0.89 CNR2 (0.44) CNR2MAPKAPK2CNR1GSK3BDYRK1A

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
US-20240199603-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-06-20 — — US disclosed
US-11926625-B2 HPK1 antagonists and uses thereof Nimbus Saturn, Inc. (US) 2024-03-12 — — US disclosed
EP-4301756-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2024-01-10 — — EP disclosed
CN-117295737-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2023-12-26 — — CN disclosed
US-20230117631-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. 2023-04-20 — — US disclosed
WO-2022187856-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-09-09 — — 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 (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-20240199603-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 CNR2 3671/4885MAP4K1 99/4885CYP1A2 3908/4885
US-20230117631-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 CNR2 3671/4885MAP4K1 99/4885CYP1A2 3908/4885
US-11926625-B2 HPK1 antagonists and uses thereof PDXK, HIPK1, PCK1 CNR2 3671/4885MAP4K1 99/4885CYP1A2 3908/4885

“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.