SCHEMBL6133777

SCHEMBL6133777

Nc1ncc(-c2ccc(=O)[nH]n2)c(-c2ccc(Br)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.41
ADORA2A P29274 5/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
RPS6KA3 P51812 1/20 0.38
CYP1A2 P05177 1/20 0.38
CLK1 P49759 2/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
AKR1B1 P15121 1/20 0.36
APP P05067 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
GSK3B P49841 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 0.87 LMNA (0.46) ADORA1ADORA2AKMT2AMEN1LMNA
SCHEMBL6134411 0.87 LMNA (0.56) ADORA1ADORA2AKMT2AMEN1LMNA
SCHEMBL6133302 0.87 CYP1A2 (0.54) ADORA1ADORA2AKMT2ACYP1A2
SCHEMBL6133973 0.86 ADORA1 (0.55) ADORA1ADORA2AKMT2AMEN1LMNA
SCHEMBL6134475 0.85 ADORA1 (0.41) ADORA1ADORA2AKMT2AMAPTMEN1
SCHEMBL6133724 0.84 KMT2A (0.64) ADORA1ADORA2AKMT2AMAPTMAPK1
SCHEMBL6134045 0.84 RPS6KA3 (0.44) ADORA1ADORA2AKMT2AMEN1LMNA
SCHEMBL6133477 0.81 ADORA1 (0.55) ADORA1ADORA2AKMT2AMEN1LMNA
SCHEMBL6133920 0.81 ADORA1 (0.42) ADORA1ADORA2AKMT2AMEN1LMNA
SCHEMBL6134476 0.81 CYP1A2 (0.40) ADORA1ADORA2ACYP1A2CLK1AKR1B1

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 3/4885ADORA2A 2/4885KMT2A 1769/4885

“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.