SCHEMBL17812241

SCHEMBL17812241

CC(C)(C)OC(=O)Nc1ccc2nn(-c3cccnc3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.50
HTT P42858 1/20 0.46
ACSS2 Q9NR19 1/20 0.44
GRM5 P41594 1/20 0.41
GRM1 Q13255 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
BCL2 P10415 2/20 0.41
DGAT1 O75907 1/20 0.40
PTGES O14684 1/20 0.40
CYP17A1 P05093 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
BECN1 Q14457 1/20 0.39
BRD4 O60885 2/20 0.39
TTK P33981 1/20 0.39

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
SCHEMBL19581840 0.83 MAPT (0.48) NAMPTIRAK4RAB9ANPC1ALDH1A1
SCHEMBL29617207 0.83 HTT (0.44) NAMPTHTTGRM5GRM1RAB9A
SCHEMBL30297439 0.81 PTGES (0.43) ACSS2PTGESCYP17A1ADORA3BRD4
SCHEMBL26266174 0.80 NAMPT (0.45) NAMPTHTTIRAK4RAB9ANPC1
SCHEMBL22172168 0.79 MAPT (0.41) NAMPTIRAK4RAB9ANPC1ALDH1A1
SCHEMBL2689818 0.79 NAMPT (0.54) NAMPTHTTGRM5GRM1IRAK4
SCHEMBL23012622 0.79 ACSS2 (0.40) ACSS2IRAK4DGAT1PTGESCYP17A1
SCHEMBL29479808 0.79 ACSS2 (0.40) ACSS2IRAK4DGAT1PTGESCYP17A1
SCHEMBL26266168 0.79 NAMPT (0.45) NAMPTHTTIRAK4RAB9ANPC1
SCHEMBL17812048 0.78 ESR2 (0.43) NAMPTIRAK4RAB9ANPC1ALDH1A1

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 4 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-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
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 (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-20170327487-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 NAMPT 2595/4885HTT 3196/4885ACSS2 3419/4885

“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.