SCHEMBL26844199

SCHEMBL26844199

CC(C)c1cn(C(=O)OC(C)(C)C)c2ccc(N3CCCCC3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 4/20 0.43
ATR Q13535 1/20 0.39
CKS1B P61024 2/20 0.37
SKP1 P63208 2/20 0.37
SKP2 Q13309 2/20 0.37
GRM2 Q14416 1/20 0.37
PARP1 P09874 2/20 0.36
GPR119 Q8TDV5 3/20 0.35
PIM1 P11309 1/20 0.35
MARK3 P27448 1/20 0.35
MAP4K2 Q12851 1/20 0.35
CAMK2B Q13554 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
PIK3CD O00329 1/20 0.35
SHMT2 P34897 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL21060267 0.90 MAP4K4 (0.54) MAP4K4CKS1BSKP1SKP2GPR119
SCHEMBL30675155 0.90 MAP4K4 (0.54) MAP4K4CKS1BSKP1SKP2GPR119
SCHEMBL26844190 0.86 MAP4K4 (0.41) MAP4K4ATRGRM2PARP1GPR119
SCHEMBL21060019 0.81 MAP4K4 (0.46) MAP4K4CKS1BSKP1SKP2PDE10A
SCHEMBL30675193 0.81 MAP4K4 (0.46) MAP4K4CKS1BSKP1SKP2PDE10A
SCHEMBL21060496 0.80 HTR6 (0.37) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL29897149 0.80 HTR6 (0.37) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL21060471 0.79 HSP90AA1 (0.40) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL29897152 0.79 HSP90AA1 (0.40) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL21060073 0.78 HTR6 (0.36) GPR119PIM1MARK3MAP4K2CAMK2B

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-11820768-B2 4-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-21 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-11820768-B2 4-azaindole compounds TLR7, TLR9, TLR5 MAP4K4 1738/4885ATR 2614/4885CKS1B 2367/4885

“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.