SCHEMBL1773209

SCHEMBL1773209

Cc1nc(CC2CCN(c3ncc(Br)cn3)CC2)nc(C(=O)O)c1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
ALKBH1 Q13686 2/20 0.39
SCN9A Q15858 4/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGER1 P34995 1/20 0.35
PTPN11 Q06124 1/20 0.35
AOC3 Q16853 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A7 Q99884 1/20 0.35

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
SCHEMBL1773823 0.91 AOC3 (0.42) ALKBH1SCN9AKDM4ELMNATSHR
SCHEMBL1772995 0.90 CHRM4 (0.42) CHRM4CHRM5CHRM1CHRM3ALKBH1
SCHEMBL1772364 0.90 CHRM4 (0.42) CHRM4LMNATSHRALDH1A1MAPT
SCHEMBL12002658 0.88 SLC6A2 (0.44) KDM4ELMNAALDH1A1MAPTPTGER1
SCHEMBL1773145 0.87 MAPT (0.39) KDM4ETSHRALDH1A1MAPTL3MBTL1
SCHEMBL1772472 0.86 CHRM4 (0.40) CHRM4CHRM5CHRM1CHRM3SCN9A
SCHEMBL12602088 0.86 CHRM4 (0.43) CHRM4CHRM5CHRM1CHRM3SCN9A
Hydrochloric Acid SCHEMBL1773577 0.84 ME3 (0.42) KDM4EALDH1A1MAPT
SCHEMBL1774023 0.81 AOC3 (0.42) AOC3
SCHEMBL1772041 0.81 HRH3 (0.41) SCN9AKDM4EALDH1A1MAPTL3MBTL1

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-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-12 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-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND EPOR, CBR1, CBR3 CHRM4 1650/4885CHRM5 1449/4885CHRM1 710/4885

“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.