SCHEMBL17802466

SCHEMBL17802466

COC(=O)c1ccc2nn(-c3cccnc3)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.53
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
ALOX15 P16050 1/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 1/20 0.48
ADORA3 P0DMS8 1/20 0.43
SLC2A1 P11166 1/20 0.42
ESR2 Q92731 1/20 0.42
ALPL P05186 1/20 0.42
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
FGFR1 P11362 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
SRC P12931 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL30872906 1.00 CYP19A1 (0.53) CYP19A1CYP11B1CYP11B2ALOX15HTT
SCHEMBL24321313 0.91 CYP19A1 (0.53) CYP19A1CYP11B1CYP11B2ALOX15HTT
SCHEMBL30516934 0.91 CYP19A1 (0.53) CYP19A1CYP11B1CYP11B2ALOX15HTT
SCHEMBL31375424 0.88 MAPK1 (0.44) CYP19A1CYP11B1CYP11B2ALOX15HTT
Formic Acid SCHEMBL30516944 0.86 CYP19A1 (0.49) CYP19A1CYP11B1CYP11B2ALOX15HTT
SCHEMBL29658143 0.85 ADORA3 (0.42) CYP19A1CYP11B1CYP11B2ALDH1A1MAPK1
SCHEMBL16569090 0.85 ADORA3 (0.42) CYP19A1CYP11B1CYP11B2ALDH1A1MAPK1
SCHEMBL31568706 0.85 GRM1 (0.49) ADORA3ESR2MAPTHPGD
SCHEMBL31457215 0.85 ESR2 (0.49) HTTALDH1A1MAPK1ADORA3ESR2
SCHEMBL17802507 0.85 ESR2 (0.49) HTTALDH1A1MAPK1ADORA3ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647692-B2 Heterocycle-substituted bicyclic azole pesticides FMC CORPORATION (US) 2020-05-12 US claimed
EP-3424919-B1 HETEROCYCLE-SUBSTITUTED BICYCLIC AZOLE PESTICIDES FMC CORP (US) 2022-04-27 EP disclosed
CN-112679467-A Heterocyclic substituted bicyclic azoles as pesticidal agents FMC公司 2021-04-20 CN disclosed
CN-107635984-B Heterocyclic substituted bicyclic azoles as pesticidal agents FMC公司 2021-04-13 CN disclosed
CN-112608300-A Heterocyclic substituted bicyclic azoles as pesticidal agents FMC公司 2021-04-06 CN disclosed
CN-107207466-B Bicyclic compounds as pest control agents 拜耳作物科学股份公司 2020-09-08 CN disclosed
EP-3227274-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2019-07-03 EP disclosed
US-10131649-B2 Bicyclic compounds as pest control agents BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-11-20 US disclosed
EP-3044220-B1 HETEROCYCLE-SUBSTITUTED BICYCLIC AZOLE PESTICIDES FMC CORP (US) 2018-11-07 EP 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 (3 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 CYP19A1 1047/4885CYP11B1 624/4885CYP11B2 511/4885
US-20170327487-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 CYP19A1 1047/4885CYP11B1 624/4885CYP11B2 511/4885
US-10647692-B2 Heterocycle-substituted bicyclic azole pesticides CYP4X1, DDT, CHRM1 CYP19A1 50/4885CYP11B1 87/4885CYP11B2 132/4885

“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.