SCHEMBL25950685

SCHEMBL25950685

CCOC1CC(C(=O)OC(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HSD11B1 P28845 1/20 0.33
NR1H2 P55055 1/20 0.33
MAPK1 P28482 1/20 0.33
BTK Q06187 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 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
SCHEMBL27059448 1.00 HRH3 (0.36) HRH3MEN1ALDH1A1TSHRKMT2A
SCHEMBL16806553 0.85 HRH3 (0.42) HRH3MEN1ALDH1A1TSHRKMT2A
SCHEMBL21865773 0.85 NR1H2 (0.36) HRH3NR1H2MAPK1BTKCHRM2
SCHEMBL21801372 0.82 NR1H2 (0.34) HRH3NR1H2MAPK1BTKCHRM2
SCHEMBL21801371 0.82 NR1H2 (0.34) HRH3NR1H2MAPK1BTKCHRM2
SCHEMBL28885213 0.81 HRH3 (0.33) HRH3KMT2ANR1H2MAPK1BTK
SCHEMBL30044526 0.81 HRH3 (0.33) HRH3NR1H2MAPK1
SCHEMBL28885193 0.81 HRH3 (0.33) HRH3NR1H2MAPK1
SCHEMBL28647081 0.81 HRH3 (0.33) HRH3NR1H2MAPK1
SCHEMBL30042822 0.81 HRH3 (0.33) HRH3KMT2ANR1H2MAPK1BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12590090-B2 Pyrimidine-and nitrogen-containing bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2026-03-31 US disclosed
EP-4223750-B1 NITROGEN-CONTAINING BICYCLIC COMPOUNDS WHICH CONTAIN PYRIMIDINE AS INTERLEUKIN 1 RECEPTOR-ASSOCIATED KINASE 4 (IRAK-4) INHIBITORS TO BE USED IN THE TREATMENT OF INFLAMMATORY OR AUTOIMMUNE DISEASES ASAHI KASEI PHARMA CORP (JP) 2025-06-25 EP disclosed
CN-116194454-B Pyrimidine-containing nitrogen-containing bicyclic compounds 旭化成制药株式会社 2025-02-18 CN disclosed
US-20240025893-A1 PYRIMIDINE-AND NITROGEN-CONTAINING BICYCLIC COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2024-01-25 US disclosed
EP-4223750-A1 NITROGEN-CONTAINING BICYCLIC COMPOUND WHICH CONTAINS PYRIMIDINE Asahi Kasei Pharma Corporation (JP) 2023-08-09 EP disclosed
EP-4223750-A1 NITROGEN-CONTAINING BICYCLIC COMPOUND WHICH CONTAINS PYRIMIDINE Asahi Kasei Pharma Corporation (JP) 2023-08-09 EP disclosed
WO-2022070289-A1 NITROGEN-CONTAINING BICYCLIC COMPOUND WHICH CONTAINS PYRIMIDINE 旭化成ファーマ株式会社 2022-04-07 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-20240025893-A1 PYRIMIDINE-AND NITROGEN-CONTAINING BICYCLIC COMPOUND IRAK4, IRAK1, IRAK2 HRH3 1510/4885MEN1 3133/4885ALDH1A1 2898/4885
US-12590090-B2 Pyrimidine-and nitrogen-containing bicyclic compound IRAK1, IRAK4, IRAK2 HRH3 675/4885MEN1 3433/4885ALDH1A1 3202/4885

“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.