SCHEMBL2684152

SCHEMBL2684152

COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)nc(NC2CCC2)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.36
TAS1R1 Q7RTX1 3/20 0.36
TAS1R2 Q8TE23 2/20 0.36
TRPM8 Q7Z2W7 2/20 0.36
MEN1 O00255 1/20 0.35
HSP90AA1 P07900 1/20 0.35
KMT2A Q03164 1/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
LRRK2 Q5S007 1/20 0.35
JAK2 O60674 3/20 0.34
JAK1 P23458 3/20 0.34
JAK3 P52333 3/20 0.34
GBA1 P04062 1/20 0.34
LATS1 O95835 1/20 0.34

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
SCHEMBL2682872 0.88 LRRK2 (0.34) TAS1R3TAS1R1TAS1R2TRPM8MEN1
SCHEMBL11902376 0.86 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2CYP2D6SYK
SCHEMBL11902375 0.86 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2CYP2D6SYK
SCHEMBL1611059 0.83 CRHR1 (0.39) TAS1R3TAS1R1TAS1R2TRPM8MEN1
SCHEMBL117789 0.81 TAS1R3 (0.40) TAS1R3TAS1R1TAS1R2KMT2ATSHR
SCHEMBL716664 0.80 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2TSHRHSD17B10
SCHEMBL1114950 0.80 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2TSHRHSD17B10
SCHEMBL11902929 0.79 TAS1R3 (0.33) TAS1R3TAS1R1TAS1R2HSD17B10MEP1B
SCHEMBL29769728 0.79 KDM4E (0.38) TAS1R3TAS1R1TAS1R2TSHRHSD17B10
SCHEMBL679753 0.79 KDM4E (0.38) TAS1R3TAS1R1TAS1R2TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US 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-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION TYMS, DHFR, UNG TAS1R3 1989/4885TAS1R1 2680/4885TAS1R2 2534/4885

“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.