SCHEMBL6722947

SCHEMBL6722947

Fc1ccc(-c2ncnc(C(F)F)c2Cl)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIT P10721 6/20 0.41
KMO O15229 1/20 0.38
SLC34A1 Q06495 5/20 0.38
SIGMAR1 Q99720 1/20 0.36
TGFBR1 P36897 1/20 0.35
MAPK14 Q16539 4/20 0.34
MAPK13 O15264 3/20 0.34
MAPK12 P53778 3/20 0.34
MAPK11 Q15759 3/20 0.34
HTR5A P47898 1/20 0.34
LRRK2 Q5S007 1/20 0.33

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
SCHEMBL6722787 0.88 KMO (0.43) KITKMOSIGMAR1TGFBR1MAPK14
SCHEMBL6722763 0.88 KIT (0.41) KITKMOSLC34A1SIGMAR1MAPK14
SCHEMBL6727272 0.82 KIT (0.43) KITKMOSIGMAR1
SCHEMBL6719991 0.82 KIT (0.41) KITKMOSLC34A1SIGMAR1TGFBR1
SCHEMBL6727232 0.77 AHR (0.40)
SCHEMBL6719105 0.77 KCNH2 (0.33)
SCHEMBL6722700 0.77 KCNH2 (0.33) KIT
SCHEMBL6722857 0.76 KIT (0.41) KITKMOSLC34A1SIGMAR1MAPK14
SCHEMBL6727171 0.75 TRPA1 (0.43) KITKMOSLC34A1SIGMAR1
SCHEMBL6719107 0.74 KCNH2 (0.30)

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 KIT 3365/4885KMO 2539/4885SLC34A1 3072/4885

“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.