SCHEMBL25949558

SCHEMBL25949558

Cc1ncc(Br)c(N(C)C2(CNC(=O)OC(C)(C)C)CCCC2)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
LMNA P02545 3/20 0.35
FPR3 P25089 2/20 0.34
FPR2 P25090 2/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
IGF1R P08069 1/20 0.34
CPB2 Q96IY4 1/20 0.33
SLC6A5 Q9Y345 1/20 0.32
STK17B O94768 1/20 0.32
STK17A Q9UEE5 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
MAPKAPK2 P49137 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
SCHEMBL18637987 0.77 P2RX7 (0.37) FPR3FPR2IGF1RCPB2STK17B
SCHEMBL21388239 0.74 P2RX7 (0.39) FPR3FPR2IGF1RSTK17BSTK17A
SCHEMBL2726118 0.68 STK17B (0.48) FPR3FPR2IGF1RCPB2STK17B
SCHEMBL25949191 0.68 STK17B (0.50) CKS1BSKP1SKP2STK17BSTK17A
SCHEMBL2724465 0.67 STK17B (0.47) FPR3FPR2IGF1RCPB2STK17B
SCHEMBL12810229 0.66 NPFFR1 (0.39) FPR3FPR2CPB2STK17BSTK17A
SCHEMBL21014685 0.65 GSK3B (0.34) THRBLMNACKS1BSKP1SKP2
SCHEMBL25949451 0.65 STK17B (0.37) CKS1BSKP1SKP2IGF1RCPB2
SCHEMBL101043 0.64 CYP4F2 (0.44)
SCHEMBL12810105 0.64 NPFFR1 (0.39) FPR3FPR2IGF1RCPB2STK17B

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-20230248733-A1 HIGHLY ACTIVE ANTI-NEOPLASTIC AND ANTI-PROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2023-08-10 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-20230248733-A1 HIGHLY ACTIVE ANTI-NEOPLASTIC AND ANTI-PROLIFERATIVE AGENTS MKI67, PCNA, HRAS THRB 4017/4885OPRM1 4623/4885OPRD1 4097/4885

“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.