SCHEMBL14240271

SCHEMBL14240271

[N-]=[N+]=NC(=O)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 2/20 0.52
NAPRT Q6XQN6 1/20 0.52
P4HTM Q9NXG6 1/20 0.52
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 3/20 0.47
GSK3B P49841 1/20 0.46
KDM4E B2RXH2 4/20 0.43
GAA P10253 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
PSMD14 O00487 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL31341114 0.78 PDE10A (0.48) ALDH1A1KMT2AKDM4EGAAMAPT
SCHEMBL2006799 0.78 CES2 (0.64) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL27517374 0.76 P2RX7 (0.47) CES2CES1KMT2AMEN1CYP1A2
SCHEMBL25338097 0.76 P2RX7 (0.39) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL4703400 0.76 CES2 (0.61) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL3237973 0.76 CES2 (0.61) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL30976528 0.76 CES2 (0.61) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL19314041 0.76 CES2 (0.55) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL1279794 0.75 ALDH1A1 (0.61) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL10349262 0.75 CES2 (0.59) CES2CES1L3MBTL1LMNANAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0897914-B1 Process for the preparation of 2,5-disubstitued pyridines HOFFMANN LA ROCHE (CH) 2004-05-26 EP claimed
US-6080866-A A CHEMICAL INTERMEDIATES FOR ENDOTHELIN RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 2000-06-27 US claimed
CN-1210105-A Process for preparation of 2,5-disubstituted pyridines HOFFMANN LA ROCHE (CH) 1999-03-10 CN claimed
EP-0897914-A1 Process for the preparation of 2,5-disubstitued pyridines F. HOFFMANN-LA ROCHE AG (CH) 1999-02-24 EP claimed
CN-114578043-A ELISA kit and preparation method and detection method thereof 伊莱瑞特(武汉)生物技术有限公司 2022-06-03 CN disclosed
US-10640510-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof SUNOVION PHARMACEUTICALS INC. (US) 2020-05-05 US disclosed
US-20190135815-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-05-09 US disclosed
US-10196399-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof SUNOVION PHARMACEUTICALS INC. (US) 2019-02-05 US disclosed
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARAMCEUTICALS INC. 2018-02-08 US disclosed
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARAMCEUTICALS INC. 2018-02-08 US disclosed
US-9856234-B2 Heterocyclic compounds and their use as glycogen synthase kinase 3 inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2018-01-02 US disclosed
US-9708331-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2017-07-18 US disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6080866-A A CHEMICAL INTERMEDIATES FOR ENDOTHELIN RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 2000-06-27 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 US disclosed
CN-1210105-A Process for preparation of 2,5-disubstituted pyridines HOFFMANN LA ROCHE (CH) 1999-03-10 CN disclosed
EP-0897914-A1 Process for the preparation of 2,5-disubstitued pyridines F. HOFFMANN-LA ROCHE AG (CH) 1999-02-24 EP disclosed
CN-1202152-A Novel 4- (oxoxyphenyl) -3-oxopiperidines for the treatment of cardiac and renal insufficiency HOFFMANN LA ROCHE (CH) 1998-12-16 CN disclosed
US-5837708-A CARDIOVASCULAR DISORDERS OF HYPERTENSION, ISCHEMIA, ANGINA PECTORIS AND VASOSPASMS HOFFMANN-LA ROCHE INC. (US) 1998-11-17 US disclosed
CN-1170407-A Novel sulfonamides HOFFMANN LA ROCHE (CH) 1998-01-14 CN 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 (4 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-10196399-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof GRM5, GRIK5, GRM2 CES2 765/4885CES1 960/4885L3MBTL1 3852/4885
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 CES2 765/4885CES1 960/4885L3MBTL1 3852/4885
US-20190135815-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 CES2 765/4885CES1 960/4885L3MBTL1 3852/4885
US-10640510-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof GRM5, GRIK5, GRM2 CES2 765/4885CES1 960/4885L3MBTL1 3852/4885

“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.