SCHEMBL5465696

SCHEMBL5465696

Nc1nc(NCc2ccccc2)nc(N)c1N=O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.59
MAPT P10636 1/20 0.54
ADORA2A P29274 3/20 0.50
ADORA1 P30542 3/20 0.50
ADORA3 P0DMS8 2/20 0.50
ADORA2B P29275 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
MGMT P16455 1/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
CCNA1 P78396 1/20 0.50
GAA P10253 1/20 0.47
KCNH3 Q9ULD8 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL5458920 0.86 APP (0.62) APPADORA2AADORA1ADORA3ADORA2B
Hydrochloric Acid SCHEMBL5478228 0.79 APP (0.67) APPMAPTADORA2AADORA1ADORA3
Sulfuric Acid SCHEMBL5467550 0.75 APP (0.58) APPMAPTADORA2AADORA1ADORA3
SCHEMBL3298289 0.75 KCNH3 (0.73) APPMAPTNPSR1GAAKCNH3
SCHEMBL5470069 0.75 ADORA3 (0.55) MAPTADORA2AADORA1ADORA3ADORA2B
SCHEMBL3301514 0.74 NPSR1 (0.74) APPADORA2ANPSR1GAAKCNH3
SCHEMBL6727019 0.74 NPSR1 (0.74) APPADORA2ANPSR1GAAKCNH3
SCHEMBL6024935 0.73 APP (0.59) APPMAPTADORA2AADORA1ADORA3
Hydrochloric Acid SCHEMBL9247173 0.73 NPSR1 (0.72) APPMAPTADORA2ANPSR1GAA
SCHEMBL3860316 0.72 RAB9A (0.58) CDK1CCNB1MGMTCCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673092-B1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA IP NV (BE) 2007-08-15 EP disclosed
EP-1663244-B1 PTERIDINE DERIVATIVES FOR THE TREATMENT OF TNF-ALPHA-RELATED DISEASES. 4 AZA IP NV (BE) 2007-08-15 EP disclosed
US-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions 4 AZA BIOSCIENCE NV (BE) 2007-02-08 US disclosed
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases 4 AZA BIOSCIENCE NV (BE) 2007-01-04 US disclosed
EP-1673092-A1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA Bioscience nv (BE) 2006-06-28 EP disclosed
EP-1663244-A2 PTERIDINE DERIVATIVES FOR THE TREATMENT OF SEPTIC SHOCK AND TNF-ALPHA-RELATED DISEASES. 4 AZA Bioscience nv (BE) 2006-06-07 EP disclosed
WO-2005039587-A1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA BIOSCIENCE NV (BE) 2005-05-06 WO disclosed
WO-2005025574-A2 PTERIDINE DERIVATIVES FOR THE TREATMENT OF SEPTIC SHOCK AND TNF-α-RELATED DISEASES. 4 AZA BIOSCIENCE NV (BE) 2005-03-24 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 (2 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-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions TPMT, TYMS, TNF APP 760/4885MAPT 919/4885ADORA2A 747/4885
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases TNF, TNFRSF1A, TLR4 APP 487/4885MAPT 2410/4885ADORA2A 643/4885

“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.