SCHEMBL21408693

SCHEMBL21408693

Cn1cnnc1-c1ccnnc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.37
CYP11B2 P19099 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
S1PR1 P21453 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
PDE10A Q9Y233 1/20 0.33
CLK1 P49759 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.32
ALOX5AP P20292 1/20 0.32
CBLB Q13191 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
LRRK2 Q5S007 1/20 0.31
PTK2 Q05397 1/20 0.30
BDKRB2 P30411 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 1/20 0.30

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
SCHEMBL2451213 0.80 L3MBTL1 (0.49) L3MBTL1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL21811859 0.78 CYP2A6 (0.50) CYP11B2L3MBTL1ALDH1A1LMNAGAA
SCHEMBL19219072 0.77 L3MBTL1 (0.46) L3MBTL1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL24484007 0.76 PCSK9 (0.44) PCSK9PDE10AALOX5APGSK3BDYRK1A
SCHEMBL21408737 0.76 SMN1; SMN2 (0.49) CYP11B2L3MBTL1ALDH1A1PDE10ASMN1; SMN2
SCHEMBL14020814 0.74 PTK2 (0.45) PCSK9L3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL24470051 0.73 PCSK9 (0.45) PCSK9ALDH1A1LMNAGAACLK1
SCHEMBL23291112 0.71 ALDH1A1 (0.44) PCSK9L3MBTL1ALDH1A1LMNAGAA
SCHEMBL8763523 0.71 HSD11B1 (0.45) ALDH1A1LMNAGAASMN1; SMN2TSHR
SCHEMBL62239 0.71 ALDH1A1 (0.42) PCSK9L3MBTL1ALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210053957-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-25 US disclosed
US-20210053957-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-25 US disclosed
EP-3774779-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-17 EP disclosed
CN-111836806-A Herbicidal compounds 先正达参股股份有限公司 2020-10-27 CN disclosed
WO-2019185875-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-10-03 WO disclosed
WO-2019185875-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-10-03 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-20210053957-A1 HERBICIDAL COMPOUNDS DDT, ACHE, GSTO1 PCSK9 3015/4885CYP11B2 474/4885L3MBTL1 1539/4885

“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.