SCHEMBL6133937

SCHEMBL6133937

Nc1ncc(-c2ccc(=O)[nH]n2)c(-c2ccoc2)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.39
CDK2 P24941 2/20 0.38
CCNT1 O60563 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK9 P50750 1/20 0.38
ADORA1 P30542 6/20 0.36
CYP1A2 P05177 1/20 0.36
ADORA2B P29275 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
PIM1 P11309 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
TTK P33981 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
CDC7 O00311 1/20 0.33
FYN P06241 3/20 0.33
ATR Q13535 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
SCHEMBL6133302 0.82 CYP1A2 (0.54) ADORA2AADORA1CYP1A2KMT2AGPR119
SCHEMBL6133973 0.81 ADORA1 (0.55) ADORA2AADORA1CYP1A2KMT2AMEN1
SCHEMBL6133777 0.80 ADORA1 (0.41) ADORA2AADORA1CYP1A2KMT2AMEN1
SCHEMBL6133854 0.80 LMNA (0.46) ADORA2AADORA1KMT2AMEN1LMNA
SCHEMBL6134411 0.80 LMNA (0.56) ADORA2AADORA1CYP1A2ADORA2BKMT2A
SCHEMBL6133920 0.79 ADORA1 (0.42) ADORA2AADORA1CYP1A2KMT2AMEN1
SCHEMBL6133799 0.79 ADORA2A (0.54) ADORA2AADORA1ADORA2BKMT2AMEN1
SCHEMBL6133337 0.78 HSP90AA1 (0.48) ADORA2AADORA1CYP1A2PIM1ATR
SCHEMBL6133787 0.78 MAPKAPK2 (0.39) ADORA2ACDK2CCNT1CCNA2CDK9
SCHEMBL6133724 0.77 KMT2A (0.64) ADORA2ACDK2ADORA1KMT2AMEN1

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 2/4885CDK2 376/4885CCNT1 987/4885

“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.