SCHEMBL6719700

SCHEMBL6719700

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

nearest known ligand 0.40

Predicted protein targets (top 19)

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
HSP90AB1 P08238 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL6726797 0.89 GRIA1 (0.37) GRIA1GRIA2GRIA3GRIA4GRM6
SCHEMBL6715981 0.88 VCAM1 (0.38) GRIA1GRIA2GRIA3GRIA4GRM6
SCHEMBL6720026 0.86 MAPT (0.35) MAPTTDP1VCAM1SMN1; SMN2GAA
SCHEMBL6716143 0.82 GRIA1 (0.37) GRIA1GRIA2GRIA3GRIA4GRM6
SCHEMBL6719653 0.80 KIT (0.34) POLBHPGDHSP90AB1GAA
SCHEMBL6726786 0.80 VCAM1 (0.40) GRIA1GRIA2GRIA3GRIA4GRM6
SCHEMBL6719638 0.80 SQOR (0.33) MAPTCYP1A2SMN1; SMN2
SCHEMBL6722793 0.76 KIT (0.40)
SCHEMBL6715756 0.76 VCAM1 (0.39) GRIA1GRIA2GRIA3GRIA4GRM6
SCHEMBL6719590 0.73 VCAM1 (0.39) GRIA1GRIA2GRIA3GRIA4GRM6

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.