SCHEMBL17023405

SCHEMBL17023405

Nc1ccn(-c2ncccc2F)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.34
KDM4E B2RXH2 3/20 0.34
ADORA2A P29274 2/20 0.33
ALOX5AP P20292 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
MPI P34949 1/20 0.32
MAPT P10636 1/20 0.31
CHRM4 P08173 1/20 0.31

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
SCHEMBL15639637 0.79 MEN1 (0.34) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL17023418 0.79 ADORA2A (0.41) ADORA2ANOS3NOS1NOS2PI4KA
SCHEMBL17023407 0.79 EPHX2 (0.47) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL29571972 0.79 MEN1 (0.33) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL15639083 0.79 MEN1 (0.33) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL1812562 0.77 NOTUM (0.39) ALDH1A1L3MBTL1KDM4EHDAC9MPI
SCHEMBL15638638 0.76 KDM4E (0.43) ALDH1A1KDM4EADORA2AMAPTDRD4
SCHEMBL15639935 0.75 L3MBTL1 (0.36) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL1807312 0.74 NAPRT (0.40) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL15639432 0.74 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AL3MBTL1NOS3

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 16 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
WO-2018107056-A1 1,3-SUBSTITUED PYRAZOLE COMPOUNDS USEFUL FOR REDUCTION OF VERY LONG CHAIN FATTY ACIC LEVELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-06-14 WO 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
EP-2999338-B1 KNOWN AND NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2017-07-12 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 ALDH1A1 2740/4885MEN1 2069/4885KMT2A 2247/4885
US-20170305864-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS ALDH1A1 2740/4885MEN1 2069/4885KMT2A 2247/4885
US-10961201-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS ALDH1A1 2740/4885MEN1 2069/4885KMT2A 2247/4885
US-10689348-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS ALDH1A1 2740/4885MEN1 2069/4885KMT2A 2247/4885
US-11548854-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS ALDH1A1 2740/4885MEN1 2069/4885KMT2A 2247/4885
US-20210053924-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS ALDH1A1 2740/4885MEN1 2069/4885KMT2A 2247/4885
US-11332448-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS ALDH1A1 2740/4885MEN1 2069/4885KMT2A 2247/4885
US-20210017136-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS ALDH1A1 2740/4885MEN1 2069/4885KMT2A 2247/4885
US-20150239847-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS ALDH1A1 2740/4885MEN1 2069/4885KMT2A 2247/4885

“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.