SCHEMBL30002876

SCHEMBL30002876

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc(F)nc2[nH]ccc12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 15/20 0.39
JAK3 P52333 6/20 0.38
JAK2 O60674 6/20 0.35
TYK2 P29597 3/20 0.34
PDPK1 O15530 1/20 0.34
ACACB O00763 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL29838697 0.86 JAK3 (0.41) JAK1JAK3JAK2TYK2PDPK1
SCHEMBL23458587 0.80 JAK3 (0.39) JAK1JAK3JAK2TYK2ACACB
SCHEMBL19714981 0.79 JAK1 (0.54) JAK1JAK3JAK2PDPK1
SCHEMBL19730139 0.77 L3MBTL1 (0.33) PDPK1MEN1KMT2A
SCHEMBL29593049 0.77 L3MBTL1 (0.33) PDPK1MEN1KMT2A
SCHEMBL18026251 0.75 JAK3 (0.36) JAK1JAK3JAK2TYK2ACACB
SCHEMBL29780438 0.74 JAK1 (0.35) JAK1JAK3JAK2TYK2ACACB
SCHEMBL23458628 0.72 ACACB (0.35) JAK1JAK3JAK2TYK2ACACB
SCHEMBL31123773 0.72 BUB1 (0.34) PDPK1
SCHEMBL31123801 0.72 BUB1 (0.34) PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12173026-B2 PRMT5 inhibitors MERCK SHARP & DOHME LLC (US) 2024-12-24 US disclosed
US-20230062119-A1 USE OF BIOMARKERS IN IDENTIFYING PATIENTS THAT WILL BE RESPONSIVE TO TREATMENT WITH A PRMT5 INHIBITOR MERCK SHARP & DOHME LLC (US) 2023-03-02 US disclosed
US-20220363707-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-11-17 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 (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-20220363707-A1 PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 JAK1 2058/4885JAK3 2185/4885JAK2 791/4885
US-12173026-B2 PRMT5 inhibitors PRMT5, PRMT1, PRMT3 JAK1 2058/4885JAK3 2185/4885JAK2 791/4885

“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.