SCHEMBL6133477

SCHEMBL6133477

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.55
DHFR P00374 2/20 0.51
ADORA2A P29274 4/20 0.44
KMO O15229 1/20 0.43
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
BTK Q06187 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
IDO1 P14902 1/20 0.36
NOTUM Q6P988 1/20 0.36
BRAF P15056 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL6133854 0.86 LMNA (0.46) ADORA1ADORA2ASLC6A2SLC6A4SLC6A3
SCHEMBL6134045 0.83 RPS6KA3 (0.44) ADORA1ADORA2AKMT2AMEN1LMNA
SCHEMBL6133777 0.81 ADORA1 (0.41) ADORA1ADORA2AKMT2AMEN1LMNA
SCHEMBL6134411 0.81 LMNA (0.56) ADORA1ADORA2AKMT2AMEN1LMNA
SCHEMBL6133302 0.81 CYP1A2 (0.54) ADORA1ADORA2AKMT2A
SCHEMBL6133920 0.81 ADORA1 (0.42) ADORA1ADORA2AKMT2AMEN1LMNA
SCHEMBL6133893 0.81 FGFR1 (0.43) ADORA1ADORA2A
SCHEMBL6133656 0.81 PDE4A (0.62) ADORA1DHFRADORA2AKMT2AMEN1
SCHEMBL6133973 0.80 ADORA1 (0.55) ADORA1ADORA2AKMT2AMEN1LMNA
SCHEMBL6133664 0.80 ADORA1 (0.45) ADORA1DHFRADORA2ANOTUM

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 ADORA1 3/4885DHFR 146/4885ADORA2A 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.