SCHEMBL6806331

SCHEMBL6806331

Nc1cncn(C(C(=O)O)c2ccc3c(c2)OCO3)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.43
EDNRA P25101 2/20 0.39
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP19A1 P11511 1/20 0.37
EDNRB P24530 1/20 0.37
GAA P10253 2/20 0.37
HTT P42858 2/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
OGA O60502 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
MME P08473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6810352 0.79 NPC1 (0.47) PTGS2GAAUSP2CYP1A2CYP2C9
SCHEMBL6803128 0.72 GRM8 (0.40) GAAHTTKMT2AALDH1A1
SCHEMBL8478550 0.69 EDNRB (0.65) MAPK9EDNRAEDNRBCYP1A2CYP2C9
SCHEMBL8481313 0.68 EDNRB (0.64) EDNRAEDNRBKMT2A
SCHEMBL7684418 0.67 MAPK9 (0.55) MAPK9EDNRAPTGS1PTGS2CYP1A2
SCHEMBL3635007 0.67 TP53 (0.55) GAAHTTUSP2KMT2AOGA
SCHEMBL11459800 0.67 MAPK9 (0.57) MAPK9EDNRAPTGS1PTGS2CYP1A2
SCHEMBL7993449 0.66 MAPK9 (0.51) MAPK9EDNRAFAAHMGLLPTGS1
SCHEMBL29785806 0.66 MAPK9 (0.56) MAPK9EDNRAPTGS1PTGS2CYP1A2
SCHEMBL22722996 0.66 MAPK9 (0.56) MAPK9EDNRAPTGS1PTGS2CYP1A2

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 MAPK9 783/4885EDNRA 3778/4885FAAH 4698/4885

“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.