SCHEMBL1773548

SCHEMBL1773548

CC(c1ccc(O)cc1)c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.60
ESR1 P03372 2/20 0.59
PDCD1 Q15116 1/20 0.59
ESR2 Q92731 1/20 0.59
CD274 Q9NZQ7 1/20 0.59
TBXAS1 P24557 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.47
CFTR P13569 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GOPC Q9HD26 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP19A1 P11511 3/20 0.44
GAA P10253 1/20 0.44
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL10446411 0.86 CFTR (0.58) TBXAS1SMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL2601115 0.84 CFTR (0.63) TBXAS1SMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL17069338 0.84 CFTR (0.63) TBXAS1SMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL17071838 0.84 CFTR (0.63) TBXAS1SMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL14283944 0.84 CFTR (0.63) TBXAS1SMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL5023967 0.83 TBXAS1 (0.54) TBXAS1SMN1; SMN2CFTRSLC6A2SLC6A4
Ammonia Solution, Strong SCHEMBL5999497 0.82 CFTR (0.61) TBXAS1SMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL6581164 0.82 TBXAS1 (0.53) TBXAS1SMN1; SMN2CFTRSLC6A2SLC6A4
Ammonia Solution, Strong SCHEMBL5998629 0.81 TBXAS1 (0.52) TBXAS1SMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL14242083 0.81 SLC6A2 (0.70) CYP17A1ESR1SMN1; SMN2CFTRSLC6A2

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
CN-102066337-A 5-hydroxypyrimidine-4-carboxamide compounds DAIICHI SANKYO CO LTD 2011-05-18 CN 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 CYP17A1 747/4885ESR1 665/4885PDCD1 4559/4885

“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.