SCHEMBL23911669

SCHEMBL23911669

N#Cc1c(-c2c(F)cccc2F)nsc1N

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 1/20 0.41
ADORA2A P29274 6/20 0.38
ADORA1 P30542 6/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ADORA2B P29275 1/20 0.35
LRRK2 Q5S007 1/20 0.34
DYRK1A Q13627 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
EEF2K O00418 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BACE1 P56817 1/20 0.33
KDM4E B2RXH2 2/20 0.32
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL14697371 0.75 ADORA1 (0.53) ADORA2AADORA1KMT2AMEN1ADORA2B
SCHEMBL5150675 0.75 ADORA1 (0.56) ADORA2AADORA1ADORA2BHSD17B10
SCHEMBL9350241 0.71 ADORA2A (0.54) ADORA2AADORA1KMT2AMEN1ADORA2B
SCHEMBL9651829 0.70 KDM4E (0.44) KMT2AMEN1LRRK2DYRK1AALDH1A1
SCHEMBL23921774 0.70 KDM4E (0.50) ADORA2AADORA1KMT2AMEN1ALDH1A1
SCHEMBL23911662 0.70 AR (0.41) CUL4AADORA2AADORA1KMT2AMEN1
SCHEMBL10707090 0.69 NPSR1 (0.43) ADORA2AADORA1KMT2AMEN1ADORA2B
SCHEMBL9649847 0.69 ADORA2A (0.57) ADORA2AADORA1KMT2AADORA2BDYRK1A
SCHEMBL18513465 0.68 KDR (0.66) ADORA2AADORA1ADORA2B
SCHEMBL9680772 0.68 ADORA1 (0.55) ADORA2AADORA1DYRK1A

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-20210317112-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER AG (DE) 2021-10-14 US disclosed
US-20210317112-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER AG (DE) 2021-10-14 US disclosed
CN-111601802-A Heterocyclic compounds as pesticides 拜耳股份有限公司 2020-08-28 CN 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-20210317112-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS CUL4A 684/4885ADORA2A 3808/4885ADORA1 4460/4885

“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.