SCHEMBL6803067

SCHEMBL6803067

O=C(Nc1cncn(C(Cc2ccccc2)C(=O)O)c1=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
KDM4D Q6B0I6 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
PKM P14618 2/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AURKA O14965 1/20 0.40
TTK P33981 1/20 0.40
ITK Q08881 1/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL486980 0.82 ALDH1A1 (0.48) ALDH1A1PKMGAAHSD17B10NPSR1
SCHEMBL486979 0.82 ALDH1A1 (0.48) ALDH1A1PKMGAAHSD17B10NPSR1
SCHEMBL6800417 0.81 IDO1 (0.48) IDO1TDO2ALDH1A1TSHRKDM4D
SCHEMBL6805321 0.80 IDO1 (0.47) IDO1TDO2ALDH1A1KDM4DKDM4C
SCHEMBL6801626 0.78 ALDH1A1 (0.48) ALDH1A1TSHRPKMGAAHSD17B10
SCHEMBL6803679 0.76 RAB9A (0.50) HSD17B10MEN1KMT2A
SCHEMBL6804846 0.76 GPR132 (0.47) ALDH1A1TSHRGAAMEN1KMT2A
SCHEMBL6803439 0.75 ALDH1A1 (0.47) IDO1TDO2ALDH1A1TSHRKDM4D
SCHEMBL6802997 0.75 RAB9A (0.47) IDO1TDO2ALDH1A1KDM4DKDM4C
SCHEMBL6805622 0.75 IDO1 (0.43) IDO1TDO2ALDH1A1KDM4DKDM4C

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 IDO1 932/4885TDO2 2114/4885ALDH1A1 134/4885

“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.