SCHEMBL6802916

SCHEMBL6802916

Nc1cncn(CC(=O)O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.39
LMNA P02545 1/20 0.39
ADORA2B P29275 1/20 0.39
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 4/20 0.37
CSNK2A2 P19784 2/20 0.36
CSNK2A1 P68400 2/20 0.36
POLB P06746 3/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
PTGS2 P35354 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.34
KDM6B O15054 1/20 0.34
KDM4A O75164 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4D Q6B0I6 1/20 0.34
KDM4C Q9H3R0 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
SCHEMBL5487137 0.86 TRPA1 (0.40) LMNAALDH1A1KDM4EMAPTTDP1
SCHEMBL23474280 0.80 PLK1 (0.40) HDAC6ALDH1A1POLBGAATDP1
SCHEMBL20962575 0.76 LMNA (0.38) LMNAADORA2B
SCHEMBL20962568 0.76 GABRA5 (0.37) ADORA2BALDH1A1
Hydrochloric Acid SCHEMBL20945083 0.75 LMNA (0.37) LMNAADORA2B
SCHEMBL21339995 0.75 HDAC6 (0.56) HDAC6LMNAADORA2BALDH1A1KDM4E
Hydrochloric Acid SCHEMBL20945148 0.74 GABRA5 (0.36) ADORA2BALDH1A1
SCHEMBL6803986 0.73 SLC22A6 (0.39) HDAC6LMNAADORA2BALDH1A1KDM4E
SCHEMBL31618312 0.73 PTGS2 (0.48) HDAC6KDM4EPOLBPTGS2TDP1
SCHEMBL3629428 0.73 CSNK2A2 (0.40) HDAC6LMNAADORA2BALDH1A1KDM4E

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 HDAC6 4130/4885LMNA 3901/4885ADORA2B 295/4885

“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.