SCHEMBL6726797

SCHEMBL6726797

COc1ncnc(-c2cc([N+](=O)[O-])c(C#N)cc2F)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.37
GRIA2 P42262 2/20 0.37
GRIA3 P42263 2/20 0.37
GRIA4 P48058 2/20 0.37
GRM6 O15303 1/20 0.37
MAPT P10636 4/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
APEX1 P27695 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.34
ALOX15 P16050 1/20 0.34
VCAM1 P19320 1/20 0.33
PIN1 Q13526 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31

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
SCHEMBL6719638 0.91 SQOR (0.33) MAPTCYP1A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL6719700 0.89 GRIA1 (0.37) GRIA1GRIA2GRIA3GRIA4GRM6
SCHEMBL6715981 0.88 VCAM1 (0.38) GRIA1GRIA2GRIA3GRIA4GRM6
SCHEMBL6727030 0.82 CHEK1 (0.38) MAPTHPGDVCAM1PIN1ALDH1A1
SCHEMBL6719687 0.80 KIT (0.34) SQORMAPK8MAPK9
SCHEMBL6726786 0.77 VCAM1 (0.40) GRIA1GRIA2GRIA3GRIA4GRM6
SCHEMBL6715756 0.76 VCAM1 (0.39) GRIA1GRIA2GRIA3GRIA4GRM6
SCHEMBL6716143 0.76 GRIA1 (0.37) GRIA1GRIA2GRIA3GRIA4GRM6
SCHEMBL6719193 0.74 PGR (0.38) HPGDLMNA
SCHEMBL6720026 0.74 MAPT (0.35) MAPTTDP1VCAM1SMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092402-A1 Pyrimidine derivatives and herbicides containing the same SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2004-05-13 US disclosed
EP-1333029-A1 PYRIMIDINE DERIVATIVES AND HERBICIDES CONTAINING THE SAME Sumitomo Chemical Takeda Agro Company, Limited (JP) 2003-08-06 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-20040092402-A1 Pyrimidine derivatives and herbicides containing the same DDX41, CBR3, DPYD GRIA1 1319/4885GRIA2 1952/4885GRIA3 1626/4885

“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.