SCHEMBL21060019

SCHEMBL21060019

CC(C)c1cn(C(=O)OC(C)(C)C)c2ccc(N3CC(NC(=O)OC(C)(C)C)C3)nc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.46
PDE10A Q9Y233 3/20 0.45
SUV39H2 Q9H5I1 10/20 0.40
EIF2AK4 Q9P2K8 1/20 0.39
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
BTK Q06187 2/20 0.37
JAK3 P52333 1/20 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
SCHEMBL30675193 1.00 MAP4K4 (0.46) MAP4K4PDE10ASUV39H2EIF2AK4CKS1B
SCHEMBL26844190 0.87 MAP4K4 (0.41) MAP4K4PDE10AEIF2AK4
SCHEMBL26844199 0.81 MAP4K4 (0.43) MAP4K4PDE10ACKS1BSKP1SKP2
SCHEMBL30675155 0.81 MAP4K4 (0.54) MAP4K4SUV39H2CKS1BSKP1SKP2
SCHEMBL21060267 0.81 MAP4K4 (0.54) MAP4K4SUV39H2CKS1BSKP1SKP2
SCHEMBL21060497 0.78 PARP1 (0.34) MAP4K4PDE10ACKS1BSKP1SKP2
SCHEMBL30675187 0.78 PARP1 (0.34) MAP4K4PDE10ACKS1BSKP1SKP2
SCHEMBL21060471 0.76 HSP90AA1 (0.40) PDE10A
SCHEMBL29897152 0.76 HSP90AA1 (0.40) PDE10A
SCHEMBL21060496 0.75 HTR6 (0.37) PDE10A

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 9 patents. 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
EP-3728252-B1 4-AZAINDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-08-09 EP disclosed
US-20220340555-A1 4-AZAINDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2022-10-27 US disclosed
US-11053244-B1 4-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-06 US disclosed
EP-3728252-A1 4-AZAINDOLE COMPOUNDS Bristol-Myers Squibb Company (US) 2020-10-28 EP disclosed
US-10730877-B2 4-Azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 US disclosed
US-20200095247-A1 4-AZAINDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-03-26 US disclosed
US-10544143-B2 4-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-01-28 US disclosed
US-20190185469-A1 4-AZAINDOLE COMPOUNDS SYNGENE INTERNATIONAL LIMITED (IN) 2019-06-20 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 (7 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 1738/4885PDE10A 815/4885SUV39H2 3241/4885
US-20220340555-A1 4-AZAINDOLE COMPOUNDS TLR7, TLR9, TLR5 MAP4K4 1738/4885PDE10A 815/4885SUV39H2 3241/4885
US-11053244-B1 4-azaindole compounds TLR7, TLR9, TLR5 MAP4K4 1738/4885PDE10A 815/4885SUV39H2 3241/4885
US-10544143-B2 4-azaindole compounds TLR7, TLR9, TLR5 MAP4K4 1738/4885PDE10A 815/4885SUV39H2 3241/4885
US-10730877-B2 4-Azaindole compounds TLR7, TLR9, TLR5 MAP4K4 1738/4885PDE10A 815/4885SUV39H2 3241/4885
US-20190185469-A1 4-AZAINDOLE COMPOUNDS TLR7, TLR9, TLR5 MAP4K4 1738/4885PDE10A 815/4885SUV39H2 3241/4885
US-20200095247-A1 4-AZAINDOLE COMPOUNDS TLR7, TLR9, TLR5 MAP4K4 1738/4885PDE10A 815/4885SUV39H2 3241/4885

“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.