SCHEMBL31227353

SCHEMBL31227353

Nc1nccc(C2=CCC3(CC2)OCCO3)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 2/20 0.39
IKBKE Q14164 1/20 0.39
CDC7 O00311 6/20 0.38
CDK2 P24941 2/20 0.38
CCNA2 P20248 1/20 0.38
CDK9 P50750 1/20 0.38
PLK1 P53350 1/20 0.38
CCNA1 P78396 1/20 0.38
HSP90AA1 P07900 3/20 0.37
AURKA O14965 1/20 0.37
PRKACA P17612 1/20 0.37
ADORA2A P29274 1/20 0.37
GRM4 Q14833 1/20 0.37
HRH3 Q9Y5N1 1/20 0.35
SUV39H2 Q9H5I1 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
HSP90AB1 P08238 1/20 0.34

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
SCHEMBL30797026 0.83 SUV39H2 (0.39) TBK1IKBKESUV39H2
SCHEMBL27458560 0.83 SUV39H2 (0.39) TBK1IKBKESUV39H2
SCHEMBL629688 0.79 IKBKE (0.38) TBK1IKBKESUV39H2
SCHEMBL27456379 0.78 TRPV3 (0.40) TBK1CDC7CDK2CCNA2CDK9
SCHEMBL1115179 0.78 HSP90AA1 (0.40) TBK1CDC7CDK2CCNA2CDK9
SCHEMBL30953973 0.78 TRPV3 (0.40) TBK1CDC7CDK2CCNA2CDK9
SCHEMBL24822765 0.78 TBK1 (0.37) TBK1IKBKESUV39H2
SCHEMBL629835 0.75 PIK3CD (0.36) TBK1IKBKESUV39H2
SCHEMBL28396945 0.75 SUV39H2 (0.35) TBK1IKBKESUV39H2
SCHEMBL16680799 0.74 PIK3CA (0.37) TBK1IKBKESUV39H2

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-20240400555-A1 Compounds, Compositions and Methods for Attenuation of Mammalian Translation of C-MYC or N-MYC Proteins of the MYC Proto-Oncogene Family of BHLH Transcription Factors INITIAL THERAPEUTICS, INC. (US) 2024-12-05 US disclosed
WO-2024226875-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR ATTENUATION OF MAMMALIAN TRANSLATION OF C-MYC OR N-MYC PROTEINS OF THE MYC PROTO-ONCOGENE FAMILY OF BHLH TRANSCRIPTION FACTORS INITIAL THERAPEUTICS, INC. (US) 2024-10-31 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-20240400555-A1 Compounds, Compositions and Methods for Attenuation of Mammalian Translation of C-MYC or N-MYC Proteins of the MYC Proto-Oncogene Family of BHLH Transcription Factors MYCBP, MYC, MYCBP2 TBK1 2296/4885IKBKE 114/4885CDC7 506/4885

“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.