SCHEMBL29913685

SCHEMBL29913685

Cc1ccc2c(ccn2C(=O)OC(C)(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.39
BUB1 O43683 1/20 0.39
PIK3CA P42336 3/20 0.39
PIK3CD O00329 2/20 0.39
ABL1 P00519 2/20 0.39
EGFR P00533 2/20 0.39
HCK P08631 2/20 0.39
SRC P12931 2/20 0.39
KDR P35968 2/20 0.39
PIK3CB P42338 2/20 0.39
MTOR P42345 2/20 0.39
PIK3CG P48736 2/20 0.39
EPHB4 P54760 2/20 0.39
PRKDC P78527 2/20 0.39
PI4KB Q9UBF8 2/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
GRM5 P41594 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
BCHE P06276 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
SCHEMBL29173101 1.00 SSTR4 (0.39) SSTR4BUB1PIK3CAPIK3CDABL1
SCHEMBL12717738 0.85 BUB1 (0.39) BUB1PIK3CAPIK3CDABL1EGFR
SCHEMBL21964302 0.84 PIK3CA (0.43) BUB1PIK3CAPIK3CDABL1EGFR
SCHEMBL15091451 0.84 HSP90AA1 (0.45) BUB1PIK3CAPIK3CDABL1EGFR
SCHEMBL34472054 0.84 PIK3CA (0.39) BUB1PIK3CAPIK3CDABL1EGFR
SCHEMBL1623694 0.83 KDR (0.38) BUB1PIK3CAPIK3CDABL1EGFR
SCHEMBL30912206 0.83 KDR (0.38) BUB1PIK3CAPIK3CDABL1EGFR
SCHEMBL15091411 0.83 PIK3CA (0.38) BUB1PIK3CAPIK3CDABL1EGFR
SCHEMBL27146760 0.81 AR (0.40) BUB1PIK3CAPIK3CDABL1EGFR
SCHEMBL34471542 0.80 PIK3CD (0.40) BUB1PIK3CAPIK3CDABL1EGFR

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-20240174671-A1 New 2,3-Dihydro-1H-pyrrolo[3,2-b]pyridine Derivatives as Sigma Ligands ACONDICIONAMIENTO TARRASENSE (ES) 2024-05-30 US disclosed
CN-117480161-A Novel 2, 3-dihydro-1H-pyrrolo [3,2-b ] pyridine derivatives as sigma ligands 塔拉森调理公司 2024-01-30 CN disclosed
EP-4305029-A1 NEW 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVES AS SIGMA LIGANDS Acondicionamiento Tarrasense (ES) 2024-01-17 EP disclosed
WO-2022189392-A1 NEW 2,3-DIHYDRO-1H-PYRROLO[3,2-b]PYRIDINE DERIVATIVES AS SIGMA LIGANDS ACONDICIONAMIENTO TARRASENSE (ES) 2022-09-15 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-20240174671-A1 New 2,3-Dihydro-1H-pyrrolo[3,2-b]pyridine Derivatives as Sigma Ligands SIGMAR1, OPRD1, TMEM97 SSTR4 763/4885BUB1 3899/4885PIK3CA 1734/4885

“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.