SCHEMBL29741998

SCHEMBL29741998

C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1cnc(Nc2cc(Br)cn(C)c2=O)cn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.41
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
BTK Q06187 3/20 0.38
SETD7 Q8WTS6 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
PRKDC P78527 1/20 0.36
MET P08581 1/20 0.35

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
SCHEMBL14926038 1.00 GPR119 (0.41) GPR119IDO1TDO2SMARCA2SMARCA4
SCHEMBL28361417 1.00 GPR119 (0.41) GPR119IDO1TDO2SMARCA2SMARCA4
SCHEMBL14912698 0.89 BTK (0.45) GPR119IDO1TDO2SMARCA2SMARCA4
SCHEMBL14915914 0.89 BTK (0.45) GPR119IDO1TDO2SMARCA2SMARCA4
SCHEMBL29742073 0.89 BTK (0.45) GPR119IDO1TDO2SMARCA2SMARCA4
SCHEMBL14913568 0.88 BTK (0.39) BTK
SCHEMBL28357662 0.86 RET (0.43) GPR119PIK3CAMTORPRKDC
SCHEMBL29731936 0.84 GPR119 (0.41) GPR119IDO1TDO2SMARCA2SMARCA4
SCHEMBL18759180 0.81 BTK (0.41) GPR119IDO1TDO2BTKPIK3CA
SCHEMBL30507867 0.80 BTK (0.54) GPR119IDO1TDO2BTKSETD7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240270747-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2024-08-15 US disclosed
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2023-09-07 US disclosed
EP-4050012-A1 PYRIDONE BORONATES FOR THE PREPARATION OF INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-08-31 EP disclosed
EP-4019508-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-06-29 EP 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 (2 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-20240270747-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 GPR119 2921/4885IDO1 298/4885TDO2 660/4885
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 GPR119 2921/4885IDO1 298/4885TDO2 660/4885

“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.