SCHEMBL6801626

SCHEMBL6801626

Nc1cncn(C(Cc2ccccc2)C(=O)O)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TSHR P16473 1/20 0.48
PKM P14618 2/20 0.47
GAA P10253 1/20 0.47
HSD17B10 Q99714 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.44
POLB P06746 3/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTPN7 P35236 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
AADAT Q8N5Z0 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL27691488 0.79 HSD17B10 (0.54) ALDH1A1TSHRPKMGAAHSD17B10
SCHEMBL27691489 0.79 HSD17B10 (0.54) ALDH1A1TSHRPKMGAAHSD17B10
SCHEMBL6803067 0.78 IDO1 (0.44) ALDH1A1TSHRPKMGAAHSD17B10
SCHEMBL6805605 0.76 ALDH1A1 (0.44) ALDH1A1TSHRGAAHSD17B10L3MBTL1
SCHEMBL21351765 0.71 ALDH1A1 (0.51) ALDH1A1TSHRPKMGAAHSD17B10
SCHEMBL2454105 0.71 POLB (0.69) ALDH1A1TSHRPKMGAAHSD17B10
SCHEMBL5791501 0.71 POLB (0.69) ALDH1A1TSHRPKMGAAHSD17B10
SCHEMBL6805197 0.69 MAPK1 (0.38) ALDH1A1TSHRNPSR1L3MBTL1POLB
SCHEMBL7552107 0.68 HDAC8 (0.48) ALDH1A1TSHRPKMGAAHSD17B10
SCHEMBL28271128 0.68 ALDH1A1 (0.55) ALDH1A1PKMCYP2C9CYP2C19TDP1

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 3 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
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 ALDH1A1 134/4885TSHR 3337/4885PKM 2276/4885

“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.