SCHEMBL25254034

SCHEMBL25254034

CC(C)(C)OC(=O)n1cc(C(C)(C)C#N)c2cc(Br)cnc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.32
CHEK1 O14757 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
AAK1 Q2M2I8 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRA6 Q16445 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
PIM1 P11309 1/20 0.31
MARK3 P27448 1/20 0.31
MAP4K2 Q12851 1/20 0.31
CAMK2B Q13554 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31

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
SCHEMBL30726142 0.87 HSP90AA1 (0.33) GPR119IRAK4GABRG2GABRB3GABRA5
SCHEMBL19701168 0.87 HSP90AA1 (0.33) GPR119IRAK4GABRG2GABRB3GABRA5
SCHEMBL25262224 0.84 ELANE (0.42) GPR119AAK1ELANEGAASMN1; SMN2
SCHEMBL25296303 0.81 HTR6 (0.36) GPR119GABRG2GABRB3GABRA5AAK1
SCHEMBL19411567 0.80 AAK1 (0.38) GABRG2GABRB3GABRA5AAK1GABRA1
SCHEMBL25259844 0.80 AAK1 (0.34) GPR119IRAK4GABRG2GABRB3GABRA5
SCHEMBL1885391 0.79 GABRG2 (0.37) GABRG2GABRB3GABRA5AAK1GABRA1
SCHEMBL27840989 0.79 HSP90AA1 (0.36) GABRG2GABRB3GABRA5AAK1PIK3R1
SCHEMBL27821750 0.79 AAK1 (0.35) GPR119GABRG2GABRB3GABRA5AAK1
SCHEMBL25296334 0.78 CTSL (0.34) GPR119DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118488947-A Condensed ring substituted six-membered heterocyclic compound, preparation method and application thereof 劲方医药科技(上海)有限公司 2024-08-13 CN disclosed
US-20240182465-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2024-06-06 US disclosed
EP-4303216-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-01-10 EP disclosed
CN-116981661-A Condensed ring substituted six-membered heterocyclic compound, preparation method and application thereof 劲方医药科技(上海)有限公司 2023-10-31 CN disclosed
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed
WO-2022184152-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2022-09-09 WO 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-20240182465-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, HASPIN GPR119 715/4885CHEK1 1335/4885IRAK4 1371/4885

“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.