SCHEMBL19783976

SCHEMBL19783976

CCn1c(=O)cnn(-c2ccc3nn(-c4cccnc4)cc3c2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
TLR8 Q9NR97 1/20 0.39
P2RX7 Q99572 1/20 0.37
ESR2 Q92731 1/20 0.34
ELANE P08246 1/20 0.34
CYP11B2 P19099 2/20 0.33
CYP11B1 P15538 1/20 0.33
EIF2AK4 Q9P2K8 1/20 0.33
MAT2A P31153 1/20 0.33
GRM1 Q13255 1/20 0.33
MAPT P10636 1/20 0.32
CYP2A6 P11509 2/20 0.32
MEN1 O00255 1/20 0.32
GLA P06280 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2E1 P05181 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 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
SCHEMBL19783867 0.87 CYP11B2 (0.37) ADORA2AADORA2BADORA1TLR8ESR2
SCHEMBL19783974 0.87 POLB (0.38) ADORA2ATLR8ESR2CYP11B2MAPT
SCHEMBL19783858 0.86 TLR8 (0.45) ADORA2AADORA2BADORA1TLR8P2RX7
SCHEMBL19783973 0.86 MAT2A (0.36) ADORA2AADORA2BADORA1TLR8ESR2
SCHEMBL21422266 0.85 ADORA2A (0.39) ADORA2AADORA2BADORA1TLR8P2RX7
SCHEMBL19783854 0.84 TLR8 (0.38) TLR8ESR2CYP11B2GRM1MAPT
SCHEMBL21422259 0.84 ESR2 (0.39) TLR8ESR2CYP11B2GRM1MAPT
SCHEMBL19783977 0.83 ESR2 (0.41) TLR8ESR2CYP11B2GRM1MAPT
SCHEMBL19783855 0.80 ADORA2A (0.40) ADORA2AADORA2BADORA1TLR8ESR2
SCHEMBL30667413 0.74 TLR8 (0.41) TLR8ESR2MAPTMEN1KMT2A

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
EP-3484877-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2020-07-01 EP disclosed
US-20190297887-A1 BICYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-10-03 US disclosed
WO-2018011111-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-18 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-20190297887-A1 BICYCLIC COMPOUNDS AS PESTICIDES DDT, BCHE, ACHE ADORA2A 3190/4885ADORA2B 4249/4885ADORA1 4595/4885

“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.