SCHEMBL19783855

SCHEMBL19783855

CCn1c(=O)n(C)n(-c2ccc3nn(-c4cccnc4)cc3c2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
TLR8 Q9NR97 1/20 0.39
ELANE P08246 1/20 0.37
ESR2 Q92731 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
MAT2A P31153 3/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2E1 P05181 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
GRM2 Q14416 1/20 0.32
ALOX12 P18054 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
SCHEMBL21422279 0.89 ALDH1A1 (0.39) ADORA2ATLR8ESR2CYP11B2KMT2A
SCHEMBL19784123 0.88 TLR8 (0.37) ADORA2AADORA2BADORA1TLR8ELANE
SCHEMBL19783859 0.88 TLR8 (0.37) ADORA2AADORA2BADORA1TLR8ELANE
SCHEMBL21422263 0.88 TLR8 (0.37) ADORA2AADORA2BADORA1TLR8ELANE
SCHEMBL19783289 0.88 TLR8 (0.37) ADORA2AADORA2BADORA1TLR8ESR2
SCHEMBL19783857 0.87 TLR8 (0.36) ADORA2AADORA2BADORA1TLR8ELANE
SCHEMBL19784121 0.87 HIF1A (0.39) TLR8CYP11B1CYP11B2MAT2ACYP3A4
SCHEMBL19783990 0.87 TLR8 (0.44) ADORA2AADORA2BADORA1TLR8ELANE
SCHEMBL19783293 0.86 TLR8 (0.36) ADORA2AADORA2BADORA1TLR8ELANE
SCHEMBL19784119 0.86 USP2 (0.39) TLR8MEN1KMT2ACYP3A4CYP2C9

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.