SCHEMBL794336

SCHEMBL794336

COc1ccc2nc(Br)sc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.36
PDE2A O00408 3/20 0.35
PDE5A O76074 2/20 0.35
PDE4A P27815 2/20 0.35
PDE7A Q13946 2/20 0.35
PDE3A Q14432 2/20 0.35
PDE11A Q9HCR9 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PIK3CD O00329 1/20 0.35
PIP5K1C O60331 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
EGFR P00533 1/20 0.34
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL30189846 1.00 PDE10A (0.36) PDE10APDE2APDE5APDE4APDE7A
SCHEMBL10049899 0.81 PDE10A (0.44) PDE10APDE2APDE5APDE4APDE7A
SCHEMBL30189832 0.79 PIK3CD (0.50) PDE10APDE2APIK3CDPIP5K1CPIK3CA
SCHEMBL2642334 0.79 PDE10A (0.35) PDE10APDE2APDE5APDE4APDE7A
SCHEMBL483935 0.79 PDE10A (0.35) PDE10APDE2APDE5APDE4APDE7A
SCHEMBL1851332 0.79 PDE10A (0.35) PDE10APDE2APDE5APDE4APDE7A
SCHEMBL184747 0.79 PIK3CD (0.50) PDE10APDE2APIK3CDPIP5K1CPIK3CA
SCHEMBL10219831 0.77 ACACB (0.34) PDE10APDE2APDE5APDE4APDE7A
SCHEMBL10271439 0.77 NPC1 (0.43) PDE10APDE2APDE5APDE4APDE7A
SCHEMBL14243031 0.77 LCK (0.41) PDE10APDE2APDE5APDE4APDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
WO-2021110890-A1 PYRIDINIUM DERIVATIVES AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2021-06-10 WO disclosed
WO-2021110890-A1 PYRIDINIUM DERIVATIVES AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2021-06-10 WO disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO disclosed
US-9562060-B2 Heterocyclic pyridone compound, and intermediate, preparation method and use thereof SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD (CN) 2017-02-07 US disclosed
US-9562060-B2 Heterocyclic pyridone compound, and intermediate, preparation method and use thereof SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD (CN) 2017-02-07 US disclosed
US-9562060-B2 Heterocyclic pyridone compound, and intermediate, preparation method and use thereof SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD (CN) 2017-02-07 US disclosed
US-20140206679-A1 HETEROCYCLIC PYRIDONE COMPOUND, AND INTERMEDIATE, PREPARATION METHOD AND USE THEREOF SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD (CN) 2014-07-24 US disclosed
US-20140206679-A1 HETEROCYCLIC PYRIDONE COMPOUND, AND INTERMEDIATE, PREPARATION METHOD AND USE THEREOF SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD (CN) 2014-07-24 US disclosed
US-20140206679-A1 HETEROCYCLIC PYRIDONE COMPOUND, AND INTERMEDIATE, PREPARATION METHOD AND USE THEREOF SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD (CN) 2014-07-24 US disclosed
WO-2012167600-A1 A HETEROCYCLIC [B]PYRIDONE COMPOUND, INTERMEDIATES THEREOF, METHOD OF PREPARATION AND USES 上海汇伦生命科技有限公司 (CN) 2012-12-13 WO disclosed
WO-2012035055-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-22 WO disclosed
WO-2012035055-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-22 WO disclosed
EP-0973775-A1 PYROLOPYRROLONE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-01-26 EP disclosed
WO-1998043975-A1 PYROLOPYRROLONE DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-10-08 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-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 PDE10A 1981/4885PDE2A 1929/4885PDE5A 1668/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 PDE10A 1273/4885PDE2A 1309/4885PDE5A 1158/4885
US-20140206679-A1 HETEROCYCLIC PYRIDONE COMPOUND, AND INTERMEDIATE, PREPARATION METHOD AND USE THEREOF MET, PDXK, FLT3 PDE10A 1576/4885PDE2A 2182/4885PDE5A 1271/4885

“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.