SCHEMBL5024971

SCHEMBL5024971

NC(=O)N(c1cc(-n2cccn2)nc(-c2ccco2)n1)C1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.55
ADORA1 P30542 8/20 0.55
ADORA3 P0DMS8 2/20 0.47
ADORA2B P29275 1/20 0.47
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.33
ALOX15 P16050 2/20 0.33
BLM P54132 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
PTPN7 P35236 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL27681381 0.85 ADORA2A (0.54) ADORA2AADORA1ADORA3ADORA2BS1PR1
SCHEMBL27661596 0.80 ADORA2A (0.58) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL6038267 0.79 ADORA2A (0.57) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL5024948 0.79 ADORA2A (0.57) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL5604411 0.79 ADORA2A (0.64) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL6038256 0.77 ADORA2A (0.55) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL27681229 0.76 ADORA2A (0.53) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL5016135 0.76 ADORA2A (0.73) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL5016170 0.76 ADORA2A (0.73) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL5022322 0.75 ADORA2A (0.53) ADORA2AADORA1ADORA3ADORA2BALDH1A1

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
CN-1953975-A 2, 6 bisheteroaryl-4-aminopyrimidines as adenosine receptor antagonists ALMIRALL PRODESFARMA AG (CH) 2007-04-25 CN claimed
US-20080058356-A1 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2008-03-06 US disclosed
CN-1953975-A 2, 6 bisheteroaryl-4-aminopyrimidines as adenosine receptor antagonists ALMIRALL PRODESFARMA AG (CH) 2007-04-25 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 (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-20080058356-A1 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA3 2/4885

“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.