SCHEMBL12019059

SCHEMBL12019059

Cc1nn(-c2cccnc2)cc1-c1cccc(C(F)(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.41
PTGS2 P35354 2/20 0.40
IDH1 O75874 2/20 0.39
TGFBR1 P36897 9/20 0.38
TLR8 Q9NR97 1/20 0.36
CYP17A1 P05093 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
IDH2 P48735 1/20 0.35
GRM4 Q14833 1/20 0.35

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
SCHEMBL12004864 0.84 SLC6A9 (0.36) MAT2APTGS2IDH1TGFBR1GABRA1
SCHEMBL12019060 0.82 GRM4 (0.39) MAT2APTGS2IDH1TGFBR1TLR8
SCHEMBL12019064 0.81 PTGS2 (0.36) MAT2APTGS2TGFBR1TLR8GRM4
SCHEMBL12019067 0.80 PTGS2 (0.36) MAT2APTGS2TLR8GRM4
SCHEMBL12019068 0.80 MAP3K5 (0.39) TGFBR1TLR8GRM4
SCHEMBL12019069 0.79 DGAT1 (0.38) PTGS2TGFBR1TLR8GRM4
SCHEMBL12019078 0.79 PTGS2 (0.42) MAT2APTGS2TLR8GRM4
SCHEMBL12019070 0.78 GRM4 (0.39) PTGS2TLR8GRM4
SCHEMBL12019062 0.78 CDK2 (0.45) TGFBR1TLR8GRM4
SCHEMBL2183687 0.77 IDH1 (0.41) MAT2APTGS2IDH1TGFBR1GABRA1

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-20120220453-A1 PESTICIDAL COMPOSTIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-08-30 US disclosed
US-20120220453-A1 PESTICIDAL COMPOSTIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-08-30 US disclosed
WO-2012116246-A2 PESTICIDAL COMPOSTIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-08-30 WO 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-20120220453-A1 PESTICIDAL COMPOSTIONS AND PROCESSES RELATED THERETO DDT, ACHE, NOTUM MAT2A 716/4885PTGS2 686/4885IDH1 1225/4885

“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.