SCHEMBL17802475

SCHEMBL17802475

Clc1ccnc(-c2ccc3nn(-c4cccnc4)cc3c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.39
FAAH O00519 1/20 0.38
KCNH2 Q12809 1/20 0.38
TLR8 Q9NR97 1/20 0.38
CYP2A6 P11509 2/20 0.37
GRM1 Q13255 1/20 0.37
PRKCI P41743 1/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCD Q05655 1/20 0.35
KDR P35968 1/20 0.35
TEK Q02763 1/20 0.35
ROS1 P08922 1/20 0.35
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
MAT2A P31153 1/20 0.34
MARS1 P56192 2/20 0.34
GRM4 Q14833 1/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL17802511 0.84 CYP2A6 (0.47) ESR2TLR8CYP2A6GRM1F2
SCHEMBL17802501 0.83 TLR8 (0.37) ESR2FAAHKCNH2TLR8CYP2A6
SCHEMBL31692731 0.82 ESR2 (0.41) ESR2FAAHKCNH2TLR8CYP2A6
SCHEMBL31692744 0.81 CYP2A6 (0.51) ESR2FAAHKCNH2TLR8CYP2A6
SCHEMBL17802482 0.80 GRM1 (0.44) ESR2FAAHKCNH2TLR8CYP2A6
SCHEMBL17802506 0.80 CYP11B2 (0.50) ESR2TLR8CYP2A6ABL1KDR
SCHEMBL17802532 0.76 MCL1 (0.41) ESR2TLR8GRM1
SCHEMBL30279973 0.76 ESR2 (0.43) ESR2TLR8GRM1MARS1ADORA3
SCHEMBL30279977 0.76 KMO (0.56) ESR2ABL1BCRPRKCAADORA3
SCHEMBL17802481 0.74 DYRK1A (0.46) ESR2TLR8GRM1

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 5 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
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

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 ESR2 4331/4885FAAH 404/4885KCNH2 1633/4885
US-20170327487-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 ESR2 4331/4885FAAH 404/4885KCNH2 1633/4885

“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.