SCHEMBL22734993

SCHEMBL22734993

Cc1c(C2CCN(C(=O)OC(C)(C)C)CC2)ncc2[nH]ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 6/20 0.58
JAK2 O60674 5/20 0.58
TYK2 P29597 4/20 0.58
JAK3 P52333 2/20 0.58
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
HPGDS O60760 1/20 0.45
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GPR119 Q8TDV5 4/20 0.42
CNR1 P21554 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL30501963 1.00 JAK1 (0.58) JAK1JAK2TYK2JAK3KDM4E
SCHEMBL30501968 0.88 JAK1 (0.57) JAK1JAK2TYK2JAK3KDM4E
SCHEMBL22576307 0.88 JAK1 (0.57) JAK1JAK2TYK2JAK3KDM4E
SCHEMBL25375414 0.80 JAK1 (0.57) JAK1JAK2TYK2JAK3KDM4E
SCHEMBL31097633 0.80 JAK1 (0.57) JAK1JAK2TYK2JAK3KDM4E
SCHEMBL22576507 0.79 JAK1 (0.36) JAK1JAK2TYK2JAK3
SCHEMBL22735004 0.79 JAK1 (0.45) JAK1JAK2TYK2JAK3KDM4E
SCHEMBL30502008 0.79 JAK1 (0.45) JAK1JAK2TYK2JAK3KDM4E
SCHEMBL22467652 0.77 GPR119 (0.49) JAK1JAK2TYK2JAK3KDM4E
SCHEMBL22576086 0.77 JAK2 (0.49) JAK1JAK2TYK2JAK3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3728253-B1 6-AZAINDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2024-03-27 EP disclosed
US-11912703-B2 6-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-27 US disclosed
US-11912703-B2 6-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-27 US disclosed
US-11912703-B2 6-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-27 US disclosed
CN-111699185-B 6-azaindole compounds 百时美施贵宝公司 2023-06-27 CN disclosed
US-20220348576-A1 6-AZAINDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2022-11-03 US disclosed
US-11427580-B2 6-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2022-08-30 US disclosed
US-11427580-B2 6-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2022-08-30 US disclosed
US-20200385382-A1 6-AZAINDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-12-10 US disclosed
US-20200385382-A1 6-AZAINDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-12-10 US disclosed
CN-111699185-A 6-azaindole compounds 百时美施贵宝公司 2020-09-22 CN 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 (4 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-11912703-B2 6-azaindole compounds TLR7, TLR9, TLR5 JAK1 302/4885JAK2 211/4885TYK2 670/4885
US-20220348576-A1 6-AZAINDOLE COMPOUNDS TLR7, TLR9, TLR5 JAK1 302/4885JAK2 211/4885TYK2 670/4885
US-20200385382-A1 6-AZAINDOLE COMPOUNDS TLR7, TLR9, TLR5 JAK1 302/4885JAK2 211/4885TYK2 670/4885
US-11427580-B2 6-azaindole compounds TLR7, TLR9, TLR5 JAK1 302/4885JAK2 211/4885TYK2 670/4885

“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.