SCHEMBL23690409

SCHEMBL23690409

C[C@H](Nc1cc(=O)[nH]c2c(Cl)cc(C(F)(F)F)cc12)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.37
CNR1 P21554 2/20 0.37
RHOC P08134 1/20 0.35
RHOA P61586 1/20 0.35
MAP2K1 Q02750 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DDR1 Q08345 2/20 0.34
AR P10275 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGES O14684 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
SCHEMBL23690408 1.00 PDE2A (0.37) PDE2ACNR1RHOCRHOAMAP2K1
SCHEMBL23690316 0.81 PDE2A (0.33) PDE2ACNR1SMN1; SMN2DDR1KDM4E
SCHEMBL23690317 0.81 PDE2A (0.33) PDE2ACNR1SMN1; SMN2DDR1KDM4E
SCHEMBL26086489 0.78 KIF11 (0.34) PDE2ACNR1SMN1; SMN2DDR1KDM4E
SCHEMBL23689986 0.73 DDR1 (0.40) PDE2ACNR1DDR1ARKDM4E
SCHEMBL30372285 0.72 CNR1 (0.38) PDE2ACNR1MAPK1DDR1KMT2A
SCHEMBL23689904 0.72 CNR1 (0.38) PDE2ACNR1MAPK1DDR1KMT2A
SCHEMBL23690364 0.70 CNR1 (0.37) PDE2ACNR1DDR1
SCHEMBL23690365 0.70 CNR1 (0.37) PDE2ACNR1DDR1
SCHEMBL26088440 0.67 DDR1 (0.32) PDE2ADDR1KDM4E

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-20230131903-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-04-27 US disclosed
US-20230131903-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-04-27 US disclosed
US-20230131903-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-04-27 US disclosed
EP-4093735-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC COMPOUNDS Syngenta Crop Protection AG (CH) 2022-11-30 EP disclosed
CN-115023420-A Pesticidally active fused bicyclic heteroaromatic compounds 先正达农作物保护股份公司 2022-09-06 CN disclosed
WO-2021148639-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-07-29 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-20230131903-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC COMPOUNDS DDT, ACHE, GSTO1 PDE2A 1264/4885CNR1 2238/4885RHOC 2339/4885

“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.