SCHEMBL25183447

SCHEMBL25183447

COc1cc(N2CCC2)cnc1N(C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
ALK Q9UM73 8/20 0.36
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
SLC16A3 O15427 2/20 0.34
SLC16A1 P53985 2/20 0.34
SUV39H2 Q9H5I1 2/20 0.34
PIK3CG P48736 2/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 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
SCHEMBL29833756 1.00 CHRNB2 (0.39) CHRNB2CHRNA4ALKALDH1A1LMNA
SCHEMBL30428640 0.94 CHRNB2 (0.41) CHRNB2CHRNA4ALKALDH1A1LMNA
SCHEMBL25557392 0.94 CHRNB2 (0.41) CHRNB2CHRNA4ALKALDH1A1LMNA
SCHEMBL22235309 0.79 BACE1 (0.36) ALDH1A1
SCHEMBL29833741 0.72 AAK1 (0.39) ALDH1A1
SCHEMBL13199693 0.72 AAK1 (0.39) ALDH1A1
SCHEMBL30385241 0.71 ALDH1A1 (0.32) ALDH1A1LMNASUV39H2CKS1BSKP1
SCHEMBL25183448 0.71 PIK3CG (0.39) CHRNB2CHRNA4ALKALDH1A1SUV39H2
SCHEMBL5658561 0.71 CHRNB2 (0.53) CHRNB2CHRNA4ALKALDH1A1LMNA
SCHEMBL6351766 0.70 CHRNB2 (0.54) CHRNB2CHRNA4ALKSUV39H2CKS1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159520-A1 TYK-2 INHIBITOR BEONE MEDICINES I GMBH (CH) 2023-05-25 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-20230159520-A1 TYK-2 INHIBITOR TYK2, IRAK2, PTK2B CHRNB2 2006/4885CHRNA4 3843/4885ALK 1633/4885

“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.