SCHEMBL6805949

SCHEMBL6805949

O=C(O)Cn1c(-c2cccc(Br)c2)ncc(NC(=O)c2ccccc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.48
ELANE P08246 4/20 0.45
CTSD P07339 1/20 0.42
BACE1 P56817 1/20 0.42
BACE2 Q9Y5Z0 1/20 0.42
CNR2 P34972 1/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC2 Q92769 2/20 0.39
HDAC1 Q13547 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL6240894 0.89 ELANE (0.51) CASP1ELANECNR2MAPTALDH1A1
SCHEMBL6805612 0.88 HDAC2 (0.46) CASP1ELANEBACE1CNR2MAPT
SCHEMBL6804866 0.84 HDAC2 (0.53) CASP1ELANEMAPTALDH1A1NPC1
SCHEMBL6804839 0.83 NR1H4 (0.50) CASP1ELANEALDH1A1NPC1RAB9A
SCHEMBL6805801 0.83 RAB9A (0.53) CASP1ELANECNR2MAPTALDH1A1
SCHEMBL6240974 0.82 RAB9A (0.55) CASP1ELANEMAPTALDH1A1RXFP1
SCHEMBL6803430 0.82 ALDH1A1 (0.52) CASP1ELANEMAPTALDH1A1NPC1
SCHEMBL6802993 0.82 RAB9A (0.52) CASP1ELANEMAPTALDH1A1NPSR1
SCHEMBL6810346 0.80 TDP2 (0.48) MAPTALDH1A1NPSR1NPC1RAB9A
SCHEMBL6799310 0.79 RAB9A (0.54) CASP1ELANEALDH1A1NPC1RAB9A

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 CASP1 1539/4885ELANE 4400/4885CTSD 4304/4885

“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.