SCHEMBL17802482

SCHEMBL17802482

c1cnc(-c2ccc3nn(-c4cccnc4)cc3c2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.44
ESR2 Q92731 1/20 0.43
CYP2A6 P11509 4/20 0.42
TLR8 Q9NR97 1/20 0.42
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
FAAH O00519 1/20 0.38
KCNH2 Q12809 1/20 0.38
PIK3CD O00329 1/20 0.37
PIP5K1C O60331 1/20 0.37
PI4KA P42356 1/20 0.37
PIK3CG P48736 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA5 P30532 1/20 0.37
CHRNA4 P43681 1/20 0.37
PDGFRB P09619 2/20 0.36
PDGFRA P16234 2/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL17802506 0.86 CYP11B2 (0.50) ESR2CYP2A6TLR8PIK3CDPIP5K1C
SCHEMBL17802511 0.86 CYP2A6 (0.47) GRM1ESR2CYP2A6TLR8NPC1
SCHEMBL31692731 0.83 ESR2 (0.41) GRM1ESR2CYP2A6TLR8NPC1
SCHEMBL31692744 0.82 CYP2A6 (0.51) GRM1ESR2CYP2A6TLR8NPC1
SCHEMBL17802475 0.80 ESR2 (0.39) GRM1ESR2CYP2A6TLR8FAAH
SCHEMBL17802481 0.80 DYRK1A (0.46) GRM1ESR2TLR8PIK3CDPI4KA
SCHEMBL17802532 0.80 MCL1 (0.41) GRM1ESR2TLR8
SCHEMBL30279977 0.79 KMO (0.56) ESR2NPC1RAB9AGAAADORA3
SCHEMBL30279973 0.79 ESR2 (0.43) GRM1ESR2TLR8GSK3AGSK3B
SCHEMBL31457232 0.79 ESR2 (0.47) ESR2CYP2A6TLR8NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207466-B Bicyclic compounds as pest control agents 拜耳作物科学股份公司 2020-09-08 CN disclosed
US-10131649-B2 Bicyclic compounds as pest control agents BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-11-20 US disclosed
US-20170327487-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
US-20170327487-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
US-20170327487-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
EP-3227274-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2017-10-11 EP disclosed
WO-2016087421-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO disclosed
WO-2016087421-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 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 (2 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-10131649-B2 Bicyclic compounds as pest control agents DDT, BCHE, BAK1 GRM1 1370/4885ESR2 4331/4885CYP2A6 1131/4885
US-20170327487-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 GRM1 1370/4885ESR2 4331/4885CYP2A6 1131/4885

“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.