SCHEMBL5550211

SCHEMBL5550211

Cn1c(=O)c(Cl)nc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.63
KDM4E B2RXH2 5/20 0.60
ALDH1A1 P00352 4/20 0.60
GAA P10253 3/20 0.60
HPGD P15428 2/20 0.60
NPSR1 Q6W5P4 2/20 0.56
PPARG P37231 1/20 0.56
NCOA2 Q15596 1/20 0.56
NCOA1 Q15788 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.56
MAPT P10636 6/20 0.54
RAB9A P51151 4/20 0.54
NPC1 O15118 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 3/20 0.51
PKM P14618 2/20 0.51

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
SCHEMBL29559517 1.00 SMN1; SMN2 (0.63) SMN1; SMN2KDM4EALDH1A1GAAHPGD
SCHEMBL30868870 0.79 KDM4E (0.62) SMN1; SMN2KDM4EALDH1A1GAAHPGD
SCHEMBL3978504 0.79 KDM4E (0.62) SMN1; SMN2KDM4EALDH1A1GAAHPGD
SCHEMBL1053419 0.78 SMN1; SMN2 (1.00) SMN1; SMN2KDM4EALDH1A1GAAMAPT
SCHEMBL28091224 0.78 KDM4E (0.60) SMN1; SMN2KDM4EALDH1A1GAAHPGD
Hydrochloric Acid SCHEMBL31039939 0.78 KDM4E (0.60) SMN1; SMN2KDM4EALDH1A1GAAHPGD
Hydrochloric Acid SCHEMBL31039933 0.78 KDM4E (0.60) SMN1; SMN2KDM4EALDH1A1GAAHPGD
SCHEMBL29466906 0.78 KDM4E (0.60) SMN1; SMN2KDM4EALDH1A1GAAHPGD
SCHEMBL16065981 0.78 SMN1; SMN2 (0.63) SMN1; SMN2KDM4EALDH1A1GAAMAPT
SCHEMBL5545639 0.77 KDM4E (0.67) SMN1; SMN2KDM4EALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012085648-A1 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. (US) 2012-06-28 WO disclosed
EP-1711184-B1 (3-OXO-3,4-DIHYDRO-QUINOXALIN-2-YL-AMINO)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS GLYCOGEN PHOSPHORYLASE INHIBITORS FOR THE TREATMENT OF DIABETES AND OBESITY JANSSEN PHARMACEUTICA NV (BE) 2007-07-18 EP disclosed
EP-1711184-B1 (3-OXO-3,4-DIHYDRO-QUINOXALIN-2-YL-AMINO)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS GLYCOGEN PHOSPHORYLASE INHIBITORS FOR THE TREATMENT OF DIABETES AND OBESITY JANSSEN PHARMACEUTICA NV (BE) 2007-07-18 EP disclosed
EP-1711184-A1 (3-OXO-3,4-DIHYDRO-QUINOXALIN-2-YL-AMINO)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS GLYCOGEN PHOSPHORYLASE INHIBITORS FOR THE TREATMENT OF DIABETES AND OBESITY JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-18 EP disclosed
WO-2005067932-A1 (3-OXO-3, 4-DIHYDRO-QUINOXALIN-2-YL-AMINO) -BENZAMIDE DERIVATIVES AND RELATED COMPOUND AS GLYCOGEN PHOSPHORYLASE INHIBITORS FOR THE TREATMENT OF DIABETES AND OBESITY JANSSEN PHARMACEUTICA, N.V. (BE) 2005-07-28 WO disclosed
US-20050148586-A1 Quinoxalinones JANSSEN PHARMACEUTICA, N.V. (BE) 2005-07-07 US disclosed
US-4668678-A ANTIALLERGENS USV PHARMACEUTICAL CORPORATION (US) 1987-05-26 US disclosed
US-4507300-A Pyridotriazolopyrazine-diones for treating allergy USV PHARMACEUTICAL CORPORATION (US) 1985-03-26 US disclosed
EP-0039920-B1 TRIAZALOQUINOXALIN-1,4-DIONES USV PHARMACEUTICAL CORPORATION (US) 1984-07-25 EP disclosed
US-4400382-A Thiazoloquinoxalin-1,4-diones for treating allergy USV PHARMACEUTICAL CORPORATION (US) 1983-08-23 US disclosed
EP-0039920-A2 Triazaloquinoxalin-1,4-diones USV PHARMACEUTICAL CORPORATION (US) 1981-11-18 EP 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 (1 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-20050148586-A1 Quinoxalinones SLC5A2, GPR119, GLS2 SMN1; SMN2 4347/4885KDM4E 1657/4885ALDH1A1 1112/4885

“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.