SCHEMBL17023407

SCHEMBL17023407

Nc1ccn(-c2ncccc2C(F)(F)F)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
HSD11B1 P28845 10/20 0.41
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP17A1 P05093 1/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RBP4 P02753 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 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
SCHEMBL3277091 0.83 EPHX2 (0.48) EPHX2HSD11B1KDM4EL3MBTL1GAA
SCHEMBL17023405 0.79 ALDH1A1 (0.41) KDM4EL3MBTL1MAPTMEN1ALDH1A1
SCHEMBL29571771 0.79 ALDH1A1 (0.46) HSD11B1KDM4EL3MBTL1MAPTMEN1
SCHEMBL11614448 0.79 ALDH1A1 (0.46) HSD11B1KDM4EL3MBTL1MAPTMEN1
SCHEMBL15639637 0.76 MEN1 (0.34) KDM4EL3MBTL1MAPTHTTNPC1
SCHEMBL17023418 0.76 ADORA2A (0.41) HSD11B1
SCHEMBL28324866 0.76 EPHX2 (0.50) EPHX2HSD11B1CYP17A1GAAMAPT
SCHEMBL6449976 0.75 EPHX2 (0.41) EPHX2HSD11B1KDM4EGAAHTT
SCHEMBL28877061 0.74 EPHX2 (0.49) EPHX2HSD11B1GAAMAPTTSHR
SCHEMBL29454959 0.72 EPHX2 (0.47) EPHX2HSD11B1GAAMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548854-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2023-01-10 US disclosed
US-11332448-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2022-05-17 US disclosed
CN-113243374-B Heterocyclic compounds as pesticides 拜耳农作物科学股份公司 2022-04-26 CN disclosed
CN-113243374-A Heterocyclic compounds as pesticides 拜耳农作物科学股份公司 2021-08-13 CN disclosed
CN-108477173-B Heterocyclic compounds as pesticides 拜耳农作物科学股份公司 2021-07-02 CN disclosed
US-10961201-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2021-03-30 US disclosed
US-20210053924-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2021-02-25 US disclosed
US-20210017136-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2021-01-21 US disclosed
US-10689348-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2020-06-23 US disclosed
US-10435374-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2019-10-08 US disclosed
US-9802899-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2017-10-31 US disclosed
US-20170305864-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2017-10-26 US disclosed
EP-2903440-B1 HETEROCYCLIC COMPOUNDS AS PEST CONTROLLING AGENTS BAYER CROPSCIENCE AG (DE) 2017-09-06 EP disclosed
US-20150239847-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2015-08-27 US 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 (9 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-10435374-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS EPHX2 115/4885HSD11B1 2950/4885KDM4E 1583/4885
US-20170305864-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS EPHX2 115/4885HSD11B1 2950/4885KDM4E 1583/4885
US-10961201-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS EPHX2 115/4885HSD11B1 2950/4885KDM4E 1583/4885
US-10689348-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS EPHX2 115/4885HSD11B1 2950/4885KDM4E 1583/4885
US-11548854-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS EPHX2 115/4885HSD11B1 2950/4885KDM4E 1583/4885
US-20210053924-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS EPHX2 115/4885HSD11B1 2950/4885KDM4E 1583/4885
US-11332448-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS EPHX2 115/4885HSD11B1 2950/4885KDM4E 1583/4885
US-20210017136-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS EPHX2 115/4885HSD11B1 2950/4885KDM4E 1583/4885
US-20150239847-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS EPHX2 115/4885HSD11B1 2950/4885KDM4E 1583/4885

“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.