SCHEMBL6134045

SCHEMBL6134045

Nc1ncc(-c2ccc(=O)[nH]n2)c(-c2ccc(F)c(F)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.44
ADORA1 P30542 7/20 0.40
ADORA2A P29274 5/20 0.37
IDO1 P14902 1/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
TRPA1 O75762 1/20 0.36
CYP1A2 P05177 2/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
FEN1 P39748 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6133660 0.87 PDE4A (0.49) RPS6KA3ADORA1ADORA2AKMT2ALMNA
SCHEMBL6133920 0.85 ADORA1 (0.42) RPS6KA3ADORA1ADORA2AKMT2ALMNA
SCHEMBL6133664 0.85 ADORA1 (0.45) ADORA1ADORA2ACYP1A2
SCHEMBL6133777 0.84 ADORA1 (0.41) RPS6KA3ADORA1ADORA2AKMT2ALMNA
SCHEMBL6133854 0.84 LMNA (0.46) ADORA1ADORA2AKMT2ALMNAMEN1
SCHEMBL6133477 0.83 ADORA1 (0.55) ADORA1ADORA2AIDO1KMT2ALMNA
SCHEMBL6134411 0.81 LMNA (0.56) RPS6KA3ADORA1ADORA2AKMT2ALMNA
SCHEMBL6133302 0.81 CYP1A2 (0.54) ADORA1ADORA2AKMT2ACYP1A2GPR119
SCHEMBL6133404 0.81 CYP1A2 (0.37) RPS6KA3ADORA1ADORA2AKMT2ALMNA
SCHEMBL6133656 0.81 PDE4A (0.62) ADORA1ADORA2AKMT2ALMNAMEN1

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 RPS6KA3 652/4885ADORA1 3/4885ADORA2A 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.