SCHEMBL25238596

SCHEMBL25238596

CC(C)(C)OC(=O)Nc1cc(C#C[Si](C)(C)C)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 5/20 0.45
GABRA1 P14867 4/20 0.45
GABRG2 P18507 4/20 0.45
GABRB3 P28472 4/20 0.45
GABRA3 P34903 3/20 0.45
GABRA2 P47869 3/20 0.45
GABRA6 Q16445 3/20 0.45
ATR Q13535 1/20 0.41
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
GABRA4 P48169 3/20 0.39
GABRB2 P47870 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
IGF1R P08069 1/20 0.38
CCR2 P41597 2/20 0.37
TGFBR1 P36897 1/20 0.37
CYP17A1 P05093 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
PTPN11 Q06124 1/20 0.36

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
SCHEMBL30365594 0.93 GABRA5 (0.41) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL25209850 0.83 LMNA (0.45) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL25226928 0.82 ATR (0.44) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL3456534 0.82 EGLN2 (0.47) ATRGSK3BDYRK1AIRAK4IGF1R
SCHEMBL12403192 0.82 GABRA5 (0.45) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL12125903 0.81 TP53 (0.45) ATRPTPN11
SCHEMBL25229723 0.80 RAB9A (0.40) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL15051042 0.80 L3MBTL1 (0.47) AAK1
SCHEMBL13623044 0.80 IRAK4 (0.42) ATRGSK3BDYRK1AIRAK4IGF1R
SCHEMBL10298873 0.80 GABRA5 (0.46) GABRA5GABRA1GABRG2GABRB3GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12565496-B2 Substituted 1H-pyrrolo[3,2-b]pyridine compounds and methods of use thereof BAYER AKTIENGESELLSCHAFT (DE) 2026-03-03 US disclosed
EP-4509122-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF Bayer Aktiengesellschaft (DE) 2025-02-19 EP disclosed
EP-4188930-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF BAYER AG (DE) 2024-10-23 EP disclosed
EP-4188928-B1 SUBSTITUTED 1 H-PYRROLO[3,2-B]PYRIDIN COMPOUNDS AND METHODS OF USE THEREOF BAYER AG (DE) 2024-07-24 EP disclosed
US-20230391769-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-12-07 US disclosed
US-20230339939-A1 SUBSTITUTED 1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-10-26 US disclosed
US-20230339939-A1 SUBSTITUTED 1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-10-26 US disclosed
US-20230339939-A1 SUBSTITUTED 1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-10-26 US disclosed
EP-4188928-A1 SUBSTITUTED 1 H-PYRROLO[3,2-B]PYRIDIN COMPOUNDS AND METHODS OF USE THEREOF Bayer Aktiengesellschaft (DE) 2023-06-07 EP disclosed
EP-4188930-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF Bayer Aktiengesellschaft (DE) 2023-06-07 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 (3 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-20230391769-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF CYP11B2, SDHA, UGT2B7 GABRA5 681/4885GABRA1 884/4885GABRG2 921/4885
US-12565496-B2 Substituted 1H-pyrrolo[3,2-b]pyridine compounds and methods of use thereof CYP1B1, CBR1, CYP4B1 GABRA5 1691/4885GABRA1 741/4885GABRG2 979/4885
US-20230339939-A1 SUBSTITUTED 1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF CYP1B1, CYP4B1, CYP2C19 GABRA5 906/4885GABRA1 619/4885GABRG2 632/4885

“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.