SCHEMBL1773404

SCHEMBL1773404

CCOC(=O)C(C(=O)OCC)c1ccc(-c2ccccn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP19A1 P11511 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MMP8 P22894 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 2/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.43
CASP1 P29466 1/20 0.42
PARP1 P09874 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
SCHEMBL9502143 0.80 MMP8 (0.61) MMP8MEN1KMT2AGAASMN1; SMN2
SCHEMBL31211646 0.79 NPC1 (0.56) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6602550 0.79 NPC1 (0.56) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL11829732 0.78 ALDH1A1 (0.43) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL271585 0.78 MMP8 (0.59) CYP1A2MMP8MEN1KMT2ASMN1; SMN2
SCHEMBL266419 0.76 MMP8 (0.74) MMP8MEN1KMT2AGAASMN1; SMN2
SCHEMBL31716669 0.75 MAOB (0.49) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL1162993 0.75 SMN1; SMN2 (0.66) CYP1A2CYP2C9MMP8MEN1KMT2A
SCHEMBL16839799 0.75 SMN1; SMN2 (0.45) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL31069943 0.74 MMP8 (0.72) MMP8MEN1KMT2AGAASMN1; SMN2

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 CYP1A2 130/4885CYP2D6 90/4885CYP19A1 213/4885

“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.