SCHEMBL20010985

SCHEMBL20010985

Clc1cccc(C2=CCC3(CC2)OCCO3)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.47
SUV39H2 Q9H5I1 2/20 0.42
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
BACE1 P56817 2/20 0.38
KCNH2 Q12809 1/20 0.38
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
TSHR P16473 1/20 0.34
APP P05067 1/20 0.34
TDP2 O95551 2/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
GSK3B P49841 1/20 0.33
PGR P06401 1/20 0.33
SCN2A Q99250 1/20 0.33
HTR7 P34969 1/20 0.33

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
SCHEMBL14337345 0.84 SUV39H2 (0.40) SUV39H2IKBKETBK1
SCHEMBL13832397 0.83 SUV39H2 (0.41) HTR2CSUV39H2IKBKETBK1TSHR
SCHEMBL12208682 0.82 IKBKE (0.41) HTR2CSUV39H2IKBKETBK1
SCHEMBL15945568 0.82 LMNA (0.41) SUV39H2IKBKETBK1CHRNB4CHRNA3
SCHEMBL731260 0.82 ALDH1A1 (0.41) SUV39H2IKBKETBK1CHRNB4CHRNA3
SCHEMBL23484640 0.81 SUV39H2 (0.45) SUV39H2IKBKETBK1
SCHEMBL14403246 0.81 TBK1 (0.43) SUV39H2IKBKETBK1
SCHEMBL20010945 0.80 SUV39H2 (0.43) SUV39H2IKBKETBK1BACE1APP
SCHEMBL15335810 0.79 HTR2C (0.50) HTR2CSUV39H2IKBKETBK1PARP10
SCHEMBL2915518 0.79 SUV39H2 (0.45) SUV39H2IKBKETBK1BACE1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10882856-B2 5 or 8-substituted imidazo [1,5-a] pyridines as selective inhibitors of indoleamine and/or tryptophane 2,3-dioxygenases BEIGENE, LTD. (KY) 2021-01-05 US disclosed
US-10882856-B2 5 or 8-substituted imidazo [1,5-a] pyridines as selective inhibitors of indoleamine and/or tryptophane 2,3-dioxygenases BEIGENE, LTD. (KY) 2021-01-05 US disclosed
WO-2018054365-A1 NOVEL 5 or 8-SUBSTITUTED IMIDAZO [1, 5-a] PYRIDINES AS SELECTIVE INHIBITORS OF INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES BEIGENE, LTD. (KY) 2018-03-29 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-10882856-B2 5 or 8-substituted imidazo [1,5-a] pyridines as selective inhibitors of indoleamine and/or tryptophane 2,3-dioxygenases IDO1, TPH1, IDO2 HTR2C 20/4885SUV39H2 2661/4885IKBKE 531/4885

“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.