SCHEMBL6715756

SCHEMBL6715756

CC(C)c1ncnc(-c2cc([N+](=O)[O-])c(C#N)cc2F)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.39
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 2/20 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
PIN1 Q13526 1/20 0.32

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
SCHEMBL6719590 0.91 VCAM1 (0.39) VCAM1GRIA1GRIA2GRIA3GRIA4
SCHEMBL6726786 0.86 VCAM1 (0.40) VCAM1GRIA1GRIA2GRIA3GRIA4
SCHEMBL6718354 0.86 ESPL1 (0.33) VCAM1HPGDTDP1ALOX15PIN1
SCHEMBL6715981 0.83 VCAM1 (0.38) VCAM1GRIA1GRIA2GRIA3GRIA4
SCHEMBL6716143 0.82 GRIA1 (0.37) VCAM1GRIA1GRIA2GRIA3GRIA4
SCHEMBL6719708 0.82 VCAM1 (0.39) VCAM1GRIA1GRIA2GRIA3GRIA4
SCHEMBL6727241 0.80 KHK (0.38)
SCHEMBL6715859 0.76 TDP1 (0.33) VCAM1CYP2C9HPGDTDP1CYP1A2
SCHEMBL6726797 0.76 GRIA1 (0.37) VCAM1GRIA1GRIA2GRIA3GRIA4
SCHEMBL6719700 0.76 GRIA1 (0.37) VCAM1GRIA1GRIA2GRIA3GRIA4

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 VCAM1 4534/4885GRIA1 1319/4885GRIA2 1952/4885

“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.