SCHEMBL25495372

SCHEMBL25495372

Cc1c(Br)ccc2nc(NC3CCC(NC(=O)OC(C)(C)C)CC3)ncc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
JAK1 P23458 6/20 0.42
JAK2 O60674 3/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
BTK Q06187 3/20 0.40
LIPG Q9Y5X9 1/20 0.40
MERTK Q12866 1/20 0.40
CSNK2A1 P68400 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
MAPK8 P45983 2/20 0.38
ADRA2A P08913 2/20 0.38
HRH1 P35367 2/20 0.38
HTR2B P41595 2/20 0.38
MCHR1 Q99705 2/20 0.38
MAPK9 P45984 1/20 0.37
MAP4K4 O95819 2/20 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
SCHEMBL21298644 0.82 LIPG (0.38) CKS1BSKP1SKP2JAK1JAK2
SCHEMBL25500422 0.82 BTK (0.41) CKS1BSKP1SKP2JAK1JAK2
SCHEMBL29732558 0.82 ADRA2A (0.47) CKS1BSKP1SKP2JAK1JAK2
SCHEMBL25495361 0.82 BTK (0.41) CKS1BSKP1SKP2JAK1JAK2
SCHEMBL20227777 0.82 ADRA2A (0.47) CKS1BSKP1SKP2JAK1JAK2
SCHEMBL25498338 0.82 ADRA2A (0.47) CKS1BSKP1SKP2JAK1JAK2
SCHEMBL23818708 0.80 LIPG (0.39) CKS1BSKP1SKP2JAK1JAK2
SCHEMBL20575856 0.80 CSNK2A1 (0.38) CSNK2A1JAK3MAPK8ADRA2AHRH1
SCHEMBL25042174 0.78 MERTK (0.45) CKS1BSKP1SKP2JAK1JAK2
SCHEMBL28483806 0.78 MERTK (0.45) CKS1BSKP1SKP2JAK1JAK2

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-11649224-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2023-05-16 US disclosed
US-11649224-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2023-05-16 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 (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-11649224-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 CKS1B 2113/4885SKP1 1658/4885SKP2 1532/4885

“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.