SCHEMBL4058052

SCHEMBL4058052

CSc1nccc(-c2cc([N+](=O)[O-])c(N)nc2-c2ccco2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 11/20 0.40
ADORA2A P29274 11/20 0.40
ADORA1 P30542 11/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAPDH P04406 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
NR4A1 P22736 1/20 0.39
PTPN7 P35236 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
DUSP3 P51452 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL4049926 0.84 KDM4E (0.45) ADORA2BADORA2AADORA1SMN1; SMN2KDM4E
SCHEMBL3064311 0.79 ALDH1A1 (0.55) ADORA2BADORA2AADORA1SMN1; SMN2KDM4E
SCHEMBL4052085 0.78 DYRK1A (0.47) ADORA2BADORA2AADORA1KDM4EMEN1
SCHEMBL4052079 0.77 PIK3R1 (0.47) ADORA2BADORA2AADORA1SMN1; SMN2PDE4A
SCHEMBL4048967 0.76 ADORA1 (0.49) ADORA2BADORA2AADORA1SMN1; SMN2KDM4E
SCHEMBL5241276 0.76 ADORA2B (0.50) ADORA2BADORA2AADORA1SMN1; SMN2KDM4E
SCHEMBL3059131 0.74 ALDH1A1 (0.49) ADORA2BADORA2AADORA1SMN1; SMN2KDM4E
SCHEMBL4054189 0.73 PIK3R1 (0.47) ADORA2BADORA2AADORA1KDM4EMEN1
SCHEMBL4054613 0.72 ADORA2B (0.67) ADORA2BADORA2AADORA1SMN1; SMN2KDM4E
SCHEMBL30107961 0.72 KDM4E (0.53) ADORA2BSMN1; SMN2KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023763-A1 Condensed Pyridine Derivatives Useful as A2B Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-01-22 US disclosed
EP-1735310-A1 CONDENSED PYRIDINE DERIVATIVES USEFUL AS A28 ADENOSINE RECEPTOR ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2006-12-27 EP disclosed
WO-2005100353-A1 CONDENSED PYRIDINE DERIVATIVES USEFUL AS A28 ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL PRODESFARMA, SA (ES) 2005-10-27 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 (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-20090023763-A1 Condensed Pyridine Derivatives Useful as A2B Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ADORA2A 2/4885ADORA1 3/4885

“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.