SCHEMBL6133799

SCHEMBL6133799

Nc1ncc(-c2ccc(=O)[nH]n2)c(-c2ccco2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.54
ADORA1 P30542 12/20 0.54
ADORA2B P29275 8/20 0.54
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ADORA3 P0DMS8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL6133302 0.81 CYP1A2 (0.54) ADORA2AADORA1KMT2A
SCHEMBL6133937 0.79 ADORA2A (0.39) ADORA2AADORA1ADORA2BPDE3BPDE3A
SCHEMBL6134600 0.79 FGFR1 (0.42) ADORA2AADORA1ADORA2BPDE3BPDE3A
SCHEMBL1553935 0.78 ADORA1 (0.63) ADORA2AADORA1ADORA2BPDE3BPDE3A
SCHEMBL6133893 0.78 FGFR1 (0.43) ADORA2AADORA1
SCHEMBL6134476 0.78 CYP1A2 (0.40) ADORA2AADORA1ALDH1A1KDM4EPOLB
SCHEMBL6133466 0.78 ADORA2A (0.41) ADORA2AADORA1ALDH1A1TDP1KDM4E
SCHEMBL6133404 0.78 CYP1A2 (0.37) ADORA2AADORA1MEN1LMNAKMT2A
SCHEMBL6134083 0.77 ADORA2A (0.65) ADORA2AADORA1ADORA2BALDH1A1MAPT
SCHEMBL6133973 0.77 ADORA1 (0.55) ADORA2AADORA1PDE3BPDE3AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ASTELLAS PHARMA INC. (JP) 2005-02-24 US disclosed
WO-2003057689-A1 AMINOPYRIMIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885ADORA2B 1/4885

“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.