SCHEMBL4049926

SCHEMBL4049926

CSc1nccc(-c2cc(N)c(N)nc2-c2ccco2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 3/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 3/20 0.45
KMT2A Q03164 3/20 0.45
ALOX15 P16050 2/20 0.45
PTPN7 P35236 2/20 0.45
RECQL P46063 2/20 0.45
BLM P54132 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
GAPDH P04406 1/20 0.45
NR4A1 P22736 1/20 0.45
HTT P42858 1/20 0.45
DUSP3 P51452 1/20 0.45
MCL1 Q07820 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL3064311 0.85 ALDH1A1 (0.55) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL4058052 0.84 ADORA2B (0.40) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL4048967 0.82 ADORA1 (0.49) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL5241276 0.82 ADORA2B (0.50) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL3059131 0.80 ALDH1A1 (0.49) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL4049097 0.79 ADORA2B (0.64) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4054613 0.78 ADORA2B (0.67) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL30107961 0.77 KDM4E (0.53) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL4049370 0.77 ADORA2B (0.47) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL4049446 0.77 MEN1 (0.42) KDM4EMEN1ALDH1A1POLBMAPT

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 6 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 claimed
US-20090023763-A1 Condensed Pyridine Derivatives Useful as A2B Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-01-22 US disclosed
US-20090023763-A1 Condensed Pyridine Derivatives Useful as A2B Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-01-22 US disclosed
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 KDM4E 4381/4885MEN1 4583/4885ALDH1A1 621/4885

“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.