SCHEMBL6133826

SCHEMBL6133826

CC(C)n1nc(-c2cnc(N)nc2-c2ccccc2Br)ccc1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 7/20 0.36
ADORA1 P30542 2/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
CDK5 Q00535 5/20 0.35
CDK5R1 Q15078 5/20 0.35
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
PTPN1 P18031 1/20 0.32
FGFR1 P11362 1/20 0.32

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
SCHEMBL6134252 0.88 ADORA2A (0.38) ADORA1ADORA2AADORA2BKDM4EALDH1A1
SCHEMBL6134279 0.87 CLK1 (0.34) CLK1ADORA1ADORA2AADORA2BCDK5
SCHEMBL6134855 0.87 KDM5B (0.36) ADORA1ADORA2AADORA2BKDM4EFGFR1
SCHEMBL6134078 0.87 GFER (0.41) ADORA1ADORA2AMAPTKMT2ANPSR1
SCHEMBL6134468 0.87 ADORA2A (0.37) ADORA1ADORA2AADORA2BMAPT
SCHEMBL6134324 0.85 ADORA1 (0.47) ADORA1ADORA2AADORA2BKMT2A
SCHEMBL6134042 0.85 ADORA2A (0.39) CLK1ADORA1ADORA2AADORA2BCDK5
SCHEMBL6133855 0.85 ADORA2A (0.48) ADORA1ADORA2AMAPTNPSR1ALDH1A1
SCHEMBL6538913 0.84 HSD17B10 (0.33) ADORA1ADORA2APOLBPTPN1
SCHEMBL6135805 0.84 ADORA1 (0.37) ADORA1ADORA2AADORA2BMAPTNPSR1

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 CLK1 3624/4885ADORA1 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.