Sugi Predict

Sugi Predict / Compounds / SCHEMBL28529931

SCHEMBL28529931

SCHEMBL28529931

CC(C)(C)OC(=O)N[C@H]1CC[C@H](Oc2cc(F)c(F)c(F)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.44
▸ KDM1A O60341 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ PIK3CD O00329 1/20 0.40
▸ ACACB O00763 2/20 0.40
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ EPHX2 P34913 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KAT6A Q92794 1/20 0.38
▸ KAT5 Q92993 1/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ JAK2 O60674 3/20 0.37
▸ JAK1 P23458 3/20 0.37
▸ CTSK P43235 1/20 0.36

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
SCHEMBL21503612 1.00 BTK (0.44) BTKKDM1AMAOBPIK3CDACACB
SCHEMBL28529932 1.00 BTK (0.44) BTKKDM1AMAOBPIK3CDACACB
SCHEMBL24975362 0.91 BTK (0.41) BTKKDM1AMAOBPIK3CDNFKB1
SCHEMBL29279741 0.91 BTK (0.41) BTKKDM1AMAOBPIK3CDNFKB1
SCHEMBL29874615 0.84 PIK3CD (0.39) BTKKDM1AMAOBPIK3CDNFKB1
SCHEMBL29874623 0.82 PIK3CD (0.41) BTKKDM1AMAOBPIK3CDNFKB1
SCHEMBL21492528 0.82 EPHX2 (0.43) EPHX2
SCHEMBL21492525 0.82 EPHX2 (0.43) EPHX2
SCHEMBL29874307 0.81 BTK (0.39) BTKKDM1AMAOBPIK3CDNFKB1
SCHEMBL29874542 0.81 FFAR4 (0.39) BTKKDM1AMAOBPIK3CDNFKB1

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-12384790-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-08-12 — — US disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 — — US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 — — US disclosed
US-20220363685-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2022-11-17 — — US disclosed
CN-112218865-A Pteridinone compounds and uses thereof 沃泰克斯药物股份有限公司 2021-01-12 — — CN 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 (4 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-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP BTK 2261/4885KDM1A 691/4885MAOB 1413/4885
US-20220363685-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP BTK 2261/4885KDM1A 691/4885MAOB 1413/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP BTK 2261/4885KDM1A 691/4885MAOB 1413/4885
US-12384790-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP BTK 2261/4885KDM1A 691/4885MAOB 1413/4885

“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.