SCHEMBL28545540

SCHEMBL28545540

CCC1(O)CC(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.45
CTSK P43235 2/20 0.42
GAA P10253 2/20 0.41
EPHX1 P07099 1/20 0.40
EPHX2 P34913 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HSD11B1 P28845 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HCRTR2 O43614 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL14000637 0.88 BTK (0.44) BTKCTSKGAAEPHX1EPHX2
SCHEMBL10270072 0.87 BTK (0.45) BTKCTSKGAAEPHX1EPHX2
SCHEMBL21162036 0.87 BTK (0.45) BTKCTSKGAAEPHX1EPHX2
SCHEMBL10216172 0.87 BTK (0.45) BTKCTSKGAAEPHX1EPHX2
SCHEMBL28536965 0.86 GAA (0.46) BTKCTSKGAAEPHX1EPHX2
SCHEMBL10270192 0.85 BTK (0.44) BTKCTSKGAAEPHX1EPHX2
SCHEMBL25572589 0.85 BTK (0.44) BTKCTSKGAAEPHX1EPHX2
SCHEMBL25572590 0.85 BTK (0.44) BTKCTSKGAAEPHX1EPHX2
SCHEMBL10269810 0.85 BTK (0.44) BTKCTSKGAAEPHX1EPHX2
SCHEMBL25572588 0.85 BTK (0.44) BTKCTSKGAAEPHX1EPHX2

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-20250340575-A1 4-AMINOPYRROLO[2,1-F][1,2,4]TRIAZINES AND PREPARATION AND USES THEREOF BIOSPLICE THERAPEUTICS INC (US) 2025-11-06 US disclosed
WO-2025137469-A1 4-ALKOXYPYRROLO[2,1-F][1,2,4]TRIAZINES AND PREPARATION AND USES THEREOF BIOSPLICE THERAPEUTICS, INC. (US) 2025-06-26 WO disclosed
US-20250206746-A1 4-ALKOXYPYRROLO[2,1-F][1,2,4]TRIAZINES AND PREPARATION AND USES THEREOF TENARX, INC. 2025-06-26 US disclosed
US-11479546-B2 Antimalarial hexahydropyrimidine analogues UCB Biopharma SRL 2022-10-25 US disclosed
EP-3774741-B1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2022-06-08 EP disclosed
CN-111936472-A Anti-malarial hexahydropyrimidine analogues UCB生物制药有限责任公司 2020-11-13 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 (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-20250340575-A1 4-AMINOPYRROLO[2,1-F][1,2,4]TRIAZINES AND PREPARATION AND USES THEREOF DYRK1A, DYRK2, DYRK1B BTK 2447/4885CTSK 2155/4885GAA 3308/4885
US-11479546-B2 Antimalarial hexahydropyrimidine analogues G6PD, DPYD, DHODH BTK 2336/4885CTSK 4231/4885GAA 3464/4885
US-20250206746-A1 4-ALKOXYPYRROLO[2,1-F][1,2,4]TRIAZINES AND PREPARATION AND USES THEREOF DYRK1A, DYRK2, DYRK1B BTK 2316/4885CTSK 1307/4885GAA 1936/4885

“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.