SCHEMBL405781

SCHEMBL405781

Brc1ccc2nc[c]nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
PABPC1 P11940 1/20 0.37
BACE1 P56817 2/20 0.35
CHEK1 O14757 1/20 0.34
PIM1 P11309 1/20 0.34
AKT1 P31749 1/20 0.34
FLT3 P36888 1/20 0.34
PIM3 Q86V86 1/20 0.34
ALDH1A1 P00352 2/20 0.34
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAOB P27338 1/20 0.32
NPM1 P06748 2/20 0.31
ALK Q9UM73 2/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL407851 0.92 HTT (0.38) HTTCYP1A2CYP2C19PABPC1BACE1
SCHEMBL2305037 0.75 NQO2 (0.42) CYP1A2BACE1CHEK1PIM1ALDH1A1
SCHEMBL7959416 0.72 ALDH1A1 (0.48) CYP1A2CYP2C19ALDH1A1LMNASMN1; SMN2
SCHEMBL1973 0.70 MAPT (0.36) HTTALDH1A1TDP1MAPT
SCHEMBL197869 0.70 HTT (0.56) HTTCYP1A2CYP2C19PABPC1BACE1
SCHEMBL6293631 0.69
SCHEMBL208939 0.69 DYRK1A (0.37) HTTALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL576898 0.68 NQO2 (0.44) HTTCYP1A2ALDH1A1LMNASMN1; SMN2
SCHEMBL14844207 0.67 ALDH1A1 (0.39) FLT3ALDH1A1SMN1; SMN2MAPT
SCHEMBL4742084 0.67 MAPK13 (0.37) PIM1PIM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP claimed
EP-2387569-B1 HERBCIDES SYNGENTA LTD (GB) 2016-06-15 EP claimed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US claimed
US-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 US claimed
EP-4380936-A1 PYRAZOLOPYRIDINONE COMPOUNDS BeiGene, Ltd. (KY) 2024-06-12 EP disclosed
WO-2023011456-A1 PYRAZOLOPYRIDINONE COMPOUNDS BEIGENE, LTD. (KY) 2023-02-09 WO disclosed
EP-4028400-A1 SUBSTITUTED IMIDAZOQUINOXALINE COMPOUNDS AND USES THEREOF Impact Therapeutics (Shanghai), Inc (CN) 2022-07-20 EP disclosed
WO-2021047646-A1 SUBSTITUTED IMIDAZOQUINOXALINE COMPOUNDS AND USES THEREOF IMPACT THERAPEUTICS, INC (CN) 2021-03-18 WO disclosed
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP disclosed
EP-2387569-B1 HERBCIDES SYNGENTA LTD (GB) 2016-06-15 EP disclosed
US-9102642-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and methods of controlling weeds SYNGENTA LIMITED (GB) 2015-08-11 US disclosed
EP-2393796-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2015-02-25 EP disclosed
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US disclosed
US-20120028800-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-02-02 US disclosed
US-20120021909-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
US-20120021907-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
US-8017612-B2 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2011-09-13 US disclosed
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 EP disclosed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 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 (6 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-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP HTT 4418/4885CYP1A2 827/4885CYP2C19 2535/4885
US-20120021912-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 HTT 584/4885CYP1A2 67/4885CYP2C19 601/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H HTT 3451/4885CYP1A2 1483/4885CYP2C19 2583/4885
US-20120021909-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 HTT 584/4885CYP1A2 67/4885CYP2C19 601/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 HTT 584/4885CYP1A2 67/4885CYP2C19 601/4885
US-20120028800-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 HTT 584/4885CYP1A2 67/4885CYP2C19 601/4885

“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.