SCHEMBL6803128

SCHEMBL6803128

Nc1cncn(C(C(=O)O)c2cccc([N+](=O)[O-])c2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 4/20 0.40
GRM4 Q14833 4/20 0.40
ACP3 P15309 1/20 0.40
GRM6 O15303 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMO O15229 1/20 0.38
RECQL P46063 1/20 0.38
MAPK14 Q16539 1/20 0.38
TP53 P04637 1/20 0.37
HRH4 Q9H3N8 1/20 0.37

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
SCHEMBL6804327 0.86 CYP19A1 (0.39) GRM8GRM4GRM6MEN1KMT2A
SCHEMBL6805605 0.82 ALDH1A1 (0.44) TDP1ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL6810211 0.81 ALDH1A1 (0.36) MEN1KMT2ATDP1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL6805332 0.81 ALDH1A1 (0.43) TDP1ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL6804869 0.81 POLB (0.50) MEN1KMT2ATDP1ALDH1A1GAA
SCHEMBL6802612 0.73 ALDH1A1 (0.33) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL6805374 0.71 GPBAR1 (0.39) GRM8GRM4GRM6KMT2AALDH1A1
SCHEMBL6803978 0.68 KMT2A (0.47) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL6804173 0.68 ALOX5 (0.43) GAAMAPTSMN1; SMN2L3MBTL1
SCHEMBL4430624 0.68 GRM8 (0.56) GRM8GRM4ACP3GRM6ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063936-A1 Pyrimidine derivatives and process for preparing the same ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US claimed
EP-1346985-A1 PYRIMIDINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME ONO PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP claimed
US-20040063936-A1 Pyrimidine derivatives and process for preparing the same ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-1346985-A1 PYRIMIDINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME ONO PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP 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-20040063936-A1 Pyrimidine derivatives and process for preparing the same DPYD, NUDT1, UMPS GRM8 4586/4885GRM4 4513/4885ACP3 4020/4885

“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.