SCHEMBL25864343

SCHEMBL25864343

COC(=O)c1cc(N2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)nc(N2CCCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.41
SKP1 P63208 2/20 0.41
SKP2 Q13309 2/20 0.41
RBP4 P02753 1/20 0.40
GALR2 O43603 1/20 0.40
GALR1 P47211 1/20 0.40
JAK3 P52333 2/20 0.39
GBA1 P04062 3/20 0.38
KMT5A Q9NQR1 1/20 0.38
RET P07949 1/20 0.37
SUV39H2 Q9H5I1 1/20 0.37
ACHE P22303 1/20 0.37
SLC2A1 P11166 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
PTPN11 Q06124 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
PDE10A Q9Y233 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL25620238 0.87 JAK3 (0.37) CKS1BSKP1SKP2RBP4GALR2
SCHEMBL25864346 0.87 JAK3 (0.37) CKS1BSKP1SKP2RBP4GALR2
SCHEMBL25859880 0.85 GPR119 (0.49) CKS1BSKP1SKP2GALR2GALR1
SCHEMBL25864592 0.84 JAK3 (0.36) CKS1BSKP1SKP2RBP4GALR2
SCHEMBL25864436 0.83 RBP4 (0.56) CKS1BSKP1SKP2RBP4GBA1
SCHEMBL30995422 0.79 PIK3CA (0.51) CKS1BSKP1SKP2RBP4GBA1
SCHEMBL25621191 0.79 GPR119 (0.37) CKS1BSKP1SKP2JAK3RET
SCHEMBL30427482 0.78 RBP4 (0.60) RBP4GBA1ACHESLC2A1ADORA2A
SCHEMBL9669980 0.75 GBA1 (0.56) CKS1BSKP1SKP2GBA1
SCHEMBL16836632 0.74 MEN1 (0.53) CKS1BSKP1SKP2GBA1ACHE

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-20230227470-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER VANDERBILT UNIVERSITY 2023-07-20 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-20230227470-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER KRAS, NRAS, TP53 CKS1B 167/4885SKP1 189/4885SKP2 38/4885

“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.