SCHEMBL5452399

SCHEMBL5452399

COc1ccc(Cn2cnc3c(-c4ccco4)ncnc32)cc1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.72
ADORA1 P30542 9/20 0.57
HPGD P15428 1/20 0.56
FGFR1 P11362 1/20 0.49
FGFR2 P21802 1/20 0.49
FGFR4 P22455 1/20 0.49
FGFR3 P22607 1/20 0.49
SLC29A1 Q99808 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 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
SCHEMBL5473916 0.90 ADORA2A (0.59) ADORA2AADORA1HPGD
SCHEMBL5466032 0.88 ADORA2A (0.74) ADORA2AADORA1HPGDSLC29A1
SCHEMBL5461300 0.87 ADORA2A (0.56) ADORA2AADORA1
SCHEMBL5451859 0.86 ADORA2A (0.70) ADORA2AADORA1
SCHEMBL5462789 0.86 ADORA2A (0.58) ADORA2AADORA1HPGD
SCHEMBL5460441 0.86 ADORA2A (0.55) ADORA2AADORA1HPGD
SCHEMBL5460569 0.85 ADORA2A (0.54) ADORA2AADORA1FGFR1FGFR2FGFR4
SCHEMBL5466465 0.85 ADORA2A (0.56) ADORA2AADORA1SLC29A1
SCHEMBL5454720 0.85 ADORA2A (0.59) ADORA2AADORA1
SCHEMBL5456489 0.85 ADORA2A (0.62) ADORA2AADORA1

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-20070203159-A1 Purine compounds UNIVERSITETET I OLSO (NO) 2007-08-30 US disclosed
US-20070203159-A1 Purine compounds UNIVERSITETET I OLSO (NO) 2007-08-30 US disclosed
US-20070203159-A1 Purine compounds UNIVERSITETET I OLSO (NO) 2007-08-30 US 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-20070203159-A1 Purine compounds PNP, UMPS, TYMP ADORA2A 96/4885ADORA1 149/4885HPGD 2203/4885

“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.