SCHEMBL21684732

SCHEMBL21684732

COCC1CN(c2ccc3c(n2)CC[C@H](NC(=O)O)C3)CC1NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.37
BTK Q06187 1/20 0.37
MAP4K4 O95819 2/20 0.36
PDE10A Q9Y233 3/20 0.36
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
RET P07949 6/20 0.35
SUV39H2 Q9H5I1 3/20 0.34
DRD2 P14416 2/20 0.34
EIF2AK4 Q9P2K8 1/20 0.34
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL20722632 0.91 MAP4K4 (0.37) JAK3BTKMAP4K4PDE10ACKS1B
SCHEMBL20722776 0.89 CA1 (0.45) PDE10ACKS1BSKP1SKP2KMT2A
SCHEMBL28567919 0.89 CA1 (0.45) PDE10ACKS1BSKP1SKP2KMT2A
SCHEMBL28567921 0.89 CA1 (0.45) PDE10ACKS1BSKP1SKP2KMT2A
SCHEMBL30968500 0.89 CA1 (0.45) PDE10ACKS1BSKP1SKP2KMT2A
SCHEMBL21684799 0.88 MAP4K4 (0.37) JAK3BTKMAP4K4PDE10ACKS1B
SCHEMBL31204568 0.88 MAP4K4 (0.37) JAK3BTKMAP4K4PDE10ACKS1B
SCHEMBL20722733 0.88 MAP4K4 (0.37) JAK3BTKMAP4K4PDE10ACKS1B
SCHEMBL20722735 0.88 MAP4K4 (0.37) JAK3BTKMAP4K4PDE10ACKS1B
SCHEMBL30062024 0.88 MAP4K4 (0.37) JAK3BTKMAP4K4PDE10ACKS1B

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-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS VALO EARLY DISCOVERY, INC. 2021-10-21 US disclosed
EP-3833661-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS Valo Early Discovery, Inc. (US) 2021-06-16 EP disclosed
WO-2020033707-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2020-02-13 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 (1 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-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS USP28, USP25, USP24 JAK3 1862/4885BTK 3255/4885MAP4K4 1430/4885

“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.