SCHEMBL6133920

SCHEMBL6133920

Nc1ncc(-c2ccc(=O)[nH]n2)c(-c2cc(F)cc(F)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 0.42
RPS6KA3 P51812 1/20 0.38
CYP1A2 P05177 1/20 0.37
ADORA2A P29274 8/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
LDHA P00338 1/20 0.34
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
SRC P12931 1/20 0.34
PDGFRA P16234 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 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
SCHEMBL6133664 0.89 ADORA1 (0.45) ADORA1CYP1A2ADORA2A
SCHEMBL6134045 0.85 RPS6KA3 (0.44) ADORA1RPS6KA3CYP1A2ADORA2AKMT2A
SCHEMBL6133302 0.83 CYP1A2 (0.54) ADORA1CYP1A2ADORA2AKMT2A
SCHEMBL6133973 0.82 ADORA1 (0.55) ADORA1CYP1A2ADORA2AKMT2AMEN1
SCHEMBL6134411 0.81 LMNA (0.56) ADORA1RPS6KA3CYP1A2ADORA2AKMT2A
SCHEMBL6133777 0.81 ADORA1 (0.41) ADORA1RPS6KA3CYP1A2ADORA2AKMT2A
SCHEMBL6133854 0.81 LMNA (0.46) ADORA1ADORA2AKMT2AMEN1LMNA
SCHEMBL6133477 0.81 ADORA1 (0.55) ADORA1ADORA2AKMT2AMEN1LMNA
SCHEMBL6133404 0.80 CYP1A2 (0.37) ADORA1RPS6KA3CYP1A2ADORA2AKMT2A
SCHEMBL6133660 0.80 PDE4A (0.49) ADORA1RPS6KA3CYP1A2ADORA2AKMT2A

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 1 patent. 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

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 ADORA1 3/4885RPS6KA3 652/4885CYP1A2 1170/4885

“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.