SCHEMBL1772995

SCHEMBL1772995

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.42
GPR119 Q8TDV5 4/20 0.39
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
ACHE P22303 1/20 0.36
AOC3 Q16853 2/20 0.36
SCN9A Q15858 3/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
ALKBH1 Q13686 2/20 0.34
RBP4 P02753 1/20 0.34
YAP1 P46937 1/20 0.34

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
SCHEMBL1774023 0.92 AOC3 (0.42) GPR119CKS1BSKP1SKP2ACHE
SCHEMBL1772751 0.91 CHRM4 (0.40) CHRM4GPR119CKS1BSKP1SKP2
SCHEMBL1773209 0.90 CHRM4 (0.44) CHRM4CHRM5CHRM1CHRM3AOC3
SCHEMBL12002686 0.89 SLC6A2 (0.40) GPR119CKS1BSKP1SKP2ACHE
SCHEMBL1773978 0.88 GPR119 (0.41) CHRM4GPR119CKS1BSKP1SKP2
SCHEMBL12602054 0.86 ME3 (0.39) GPR119CKS1BSKP1SKP2ACHE
SCHEMBL12782961 0.86 GPR119 (0.41) GPR119CKS1BSKP1SKP2ACHE
Hydrochloric Acid SCHEMBL1773711 0.85 ME3 (0.39) GPR119CKS1BSKP1SKP2ACHE
SCHEMBL1773454 0.85 YAP1 (0.47) GPR119ACHEYAP1
SCHEMBL1773841 0.85 HRH3 (0.38) GPR119CKS1BSKP1SKP2ACHE

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 3 patents. 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
US-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-12 US disclosed
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 1650/4885GPR119 488/4885CHRM5 1449/4885

“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.