SCHEMBL6133985

SCHEMBL6133985

CC(C)n1nc(-c2cnc(N)nc2-c2cccc(Br)c2)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 11/20 0.40
HRH2 P25021 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ADORA2A P29274 7/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CLK1 P49759 3/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
MET P08581 1/20 0.36
ADORA2B P29275 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
SCHEMBL6133385 0.88 ADORA1 (0.54) ADORA1ADORA2ANPC1ALDH1A1MAPT
SCHEMBL6134132 0.88 ADORA1 (0.41) ADORA1ADORA2AALDH1A1METADORA2B
SCHEMBL6134466 0.88 ADORA1 (0.53) ADORA1HRH3ADORA2AMAPTKMT2A
SCHEMBL6134599 0.88 ADORA1 (0.53) ADORA1ADORA2AKDM4EPOLBHSD17B10
SCHEMBL6133386 0.87 KMT2A (0.40) ADORA1HRH3ADORA2AMEN1MAPT
SCHEMBL6134324 0.87 ADORA1 (0.47) ADORA1ADORA2AKMT2AADORA2B
SCHEMBL6134637 0.86 ADORA2A (0.56) ADORA1HRH2HRH3ADORA2ANPC1
SCHEMBL6134489 0.85 ADORA1 (0.55) ADORA1ADORA2AKDM4EALDH1A1HPGD
SCHEMBL6134331 0.85 ADORA1 (0.45) ADORA1ADORA2ACLK1ADORA2BDHFR
SCHEMBL6135106 0.84 LMNA (0.45) ADORA1ADORA2AMEN1MAPTKMT2A

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 3/4885HRH2 79/4885HRH3 367/4885

“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.