SCHEMBL403403

SCHEMBL403403

Nc1ccn(-c2ccccc2F)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
ADORA1 P30542 1/20 0.44
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NOTUM Q6P988 1/20 0.40
ADORA3 P0DMS8 2/20 0.37
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
MGLL Q99685 1/20 0.37
KCNN4 O15554 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HCAR1 Q9BXC0 1/20 0.36
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL29572416 1.00 MEN1 (0.49) MEN1KMT2AALDH1A1ADORA1CYP1A2
Hydrochloric Acid SCHEMBL5958352 0.98 MEN1 (0.47) MEN1KMT2AALDH1A1ADORA1CYP1A2
SCHEMBL2359995 0.85 MEN1 (0.42) MEN1KMT2AALDH1A1ADORA1CYP1A2
SCHEMBL29571922 0.85 MEN1 (0.42) MEN1KMT2AALDH1A1ADORA1CYP1A2
SCHEMBL5958455 0.80 LMNA (0.41) MEN1KMT2AALDH1A1ADORA1L3MBTL1
SCHEMBL5958426 0.80 LMNA (0.41) MEN1KMT2AALDH1A1ADORA1L3MBTL1
SCHEMBL15639432 0.78 ALDH1A1 (0.46) MEN1KMT2AALDH1A1L3MBTL1TDP1
SCHEMBL2359645 0.78 L3MBTL1 (0.41) MEN1KMT2AALDH1A1L3MBTL1HPGD
SCHEMBL29572188 0.78 L3MBTL1 (0.41) MEN1KMT2AALDH1A1L3MBTL1HPGD
SCHEMBL2357923 0.78 ALDH1A1 (0.41) MEN1KMT2AALDH1A1L3MBTL1RAB9A

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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2526098-B1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-07-11 EP claimed
US-8470820-B2 Nitrogen-containing heteroaryl derivatives HOFFMAN-LA ROCHE INC. (US) 2013-06-25 US claimed
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-7304072-B2 E.g.,cis-N-(4-benzoylphenyl)-4-hydroxy-3'-oxospiro[cyclohexane-1,1'(3'H)-isobenzofuran]-4-carboxamide; useful as neuropeptide Y receptor antagonists and as agents for therapy of cardiovascular disorders, central nervous system disorders, metabolic diseases, respiratory and urogenital disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-04 US disclosed
WO-2007016028-A2 SYNTHESIS AND CRYSTALLINE FORMS OF NPY5 ANTAGONIST MERCK & CO., INC. (US) 2007-02-08 WO disclosed
CN-1708483-A Process for preparing pyrazole compounds BANYU PHARMA CO LTD (JP) 2005-12-14 CN disclosed
EP-1554251-A1 PROCESS FOR MAKING PYRAZOLE COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-20050032820-A1 Novel spiro compounds MSD K.K. (JP) 2005-02-10 US disclosed
WO-2003076443-A9 SPIRO COMPOUNDS WITH NPY ANTAGONISTIC ACTIVITY BANYU PHARMA CO LTD (JP) 2005-01-20 WO disclosed
US-6803372-B2 SUCH AS CIS-N-(4-BENZOYLPHENYL)-4-HYDROXY-3'-OXOSPIRO (CYCLOHEXANE-1,1' (3'H)-ISOBENZOFURAN)-4-CARBOXAMIDE FOR USE AS NEUROPEPTIDE Y RECEPTOR ANTAGONIST FOR TREATMENT BULIMIA, OBESITY OR DIABETES BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-10-12 US disclosed
WO-2004037794-A1 PROCESS FOR MAKING PYRAZOLE COMPOUNDS BANYU PHARMACEUTICAL CO., LTD (JP) 2004-05-06 WO disclosed
US-20020188124-A1 Such as cis-N-(4-benzoylphenyl)-4-hydroxy-3'-oxospiro (cyclohexane-1,1' (3'H)-isobenzofuran)-4-carboxamide for use as neuropeptide Y receptor antagonist for treatment bulimia, obesity or diabetes MSD K.K. (JP) 2002-12-12 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 (8 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-10961201-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS MEN1 2069/4885KMT2A 2247/4885ALDH1A1 2740/4885
US-20020188124-A1 Such as cis-N-(4-benzoylphenyl)-4-hydroxy-3'-oxospiro (cyclohexane-1,1' (3'H)-isobenzofuran)-4-carboxamide for use as neuropeptide Y receptor antagonist for treatment bulimia, obesity or diabetes NPY1R, GPR119, NPY2R MEN1 720/4885KMT2A 2001/4885ALDH1A1 2469/4885
US-10689348-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS MEN1 2069/4885KMT2A 2247/4885ALDH1A1 2740/4885
US-11548854-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS MEN1 2069/4885KMT2A 2247/4885ALDH1A1 2740/4885
US-20210053924-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS MEN1 2069/4885KMT2A 2247/4885ALDH1A1 2740/4885
US-20050032820-A1 Novel spiro compounds NR3C2, GPR119, NPY2R MEN1 1284/4885KMT2A 2619/4885ALDH1A1 1517/4885
US-11332448-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS MEN1 2069/4885KMT2A 2247/4885ALDH1A1 2740/4885
US-20210017136-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS MEN1 2069/4885KMT2A 2247/4885ALDH1A1 2740/4885

“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.