SCHEMBL31543369

SCHEMBL31543369

CC(C)(C)OC(=O)n1cnc2cnc(Cl)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
GABRG2 P18507 3/20 0.34
GABRB3 P28472 3/20 0.34
GABRA5 P31644 3/20 0.34
POLB P06746 1/20 0.34
CCR9 P51686 1/20 0.34
PRPS1 P60891 1/20 0.34
JAK1 P23458 2/20 0.33
GABRA1 P14867 2/20 0.32
GABRA2 P47869 1/20 0.32
GABRA6 Q16445 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MET P08581 1/20 0.32
CDK9 P50750 1/20 0.32
BCHE P06276 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
SCHEMBL31543097 1.00 HSP90AA1 (0.39) HSP90AA1HSP90AB1GABRG2GABRB3GABRA5
SCHEMBL5840794 0.80 ALDH1A1 (0.43) HSP90AA1HSP90AB1POLBKDM4EALDH1A1
SCHEMBL5840858 0.80 ALDH1A1 (0.43) HSP90AA1HSP90AB1POLBKDM4EALDH1A1
SCHEMBL31543222 0.79 GABRG2 (0.41) HSP90AA1HSP90AB1GABRG2GABRB3GABRA5
SCHEMBL31543605 0.79 GABRG2 (0.41) HSP90AA1HSP90AB1GABRG2GABRB3GABRA5
SCHEMBL26192157 0.78 JAK1 (0.36) CCR9JAK1LMNACDK9
SCHEMBL16441377 0.77 HSP90AA1 (0.46) HSP90AA1HSP90AB1GABRG2GABRB3GABRA5
SCHEMBL4816124 0.76 GABRG2 (0.47) HSP90AA1HSP90AB1GABRG2GABRB3GABRA5
SCHEMBL832385 0.76 BRD4 (0.40) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL7479053 0.76 HTR6 (0.44) HSP90AA1HSP90AB1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304577-A1 TYK2 INHIBITORS BIOGEN MA INC. 2025-10-02 US disclosed
CN-119654322-A TYK2 inhibitors 渤健马萨诸塞州股份有限公司 2025-03-18 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 (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-20250304577-A1 TYK2 INHIBITORS TYK2, JAK2, JAK1 HSP90AA1 2429/4885HSP90AB1 1705/4885GABRG2 1041/4885

“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.