SCHEMBL23064483

SCHEMBL23064483

c1ccc(N2CCCC2)c(C2CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.48
HTR1A P08908 2/20 0.48
ADRA1B P35368 1/20 0.48
MAPK1 P28482 2/20 0.47
EEF2K O00418 1/20 0.45
GAA P10253 2/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
KCNQ2 O43526 1/20 0.42
CHRNA7 P36544 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
EGFR P00533 1/20 0.41
RAF1 P04049 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL31198346 1.00 KEAP1 (0.48) KEAP1HTR1AADRA1BMAPK1EEF2K
SCHEMBL23064465 0.98 KEAP1 (0.52) KEAP1HTR1AADRA1BMAPK1EEF2K
Hydrochloric Acid SCHEMBL23064591 0.98 KEAP1 (0.47) KEAP1HTR1AADRA1BMAPK1EEF2K
SCHEMBL23064565 0.94 PDCD1 (0.49) KEAP1HTR1AADRA1BMAPK1EEF2K
SCHEMBL23064527 0.94 KEAP1 (0.47) KEAP1HTR1AADRA1BMAPK1EEF2K
SCHEMBL23064544 0.92 PDCD1 (0.51) KEAP1HTR1AADRA1BMAPK1EEF2K
SCHEMBL2913876 0.88 PDCD1 (0.44) KEAP1HTR1AADRA1BMAPK1EEF2K
SCHEMBL11882582 0.87 GRM2 (0.46) HTR1AADRA1BMAPK1GAASLC6A2
SCHEMBL18701462 0.86 HTR2C (0.50) KEAP1HTR1AADRA1BMAPK1SLC6A2
SCHEMBL15834289 0.83 HTR2C (0.51) HTR1AADRA1BSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166646-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS BCL-2 INHIBITORS FOR THE TREATMENT OF NEOPLASTIC AND AUTOIMMUNE DISEASES NEWAVE PHARMACEUTICAL INC. 2024-05-23 US disclosed
EP-3788042-A1 BCL-2 INHIBITORS BeiGene, Ltd. (KY) 2021-03-10 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 (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-20240166646-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS BCL-2 INHIBITORS FOR THE TREATMENT OF NEOPLASTIC AND AUTOIMMUNE DISEASES BCL2, BCL3, BCL2L1 KEAP1 435/4885HTR1A 3543/4885ADRA1B 3409/4885

“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.