SCHEMBL686718

SCHEMBL686718

Cc1cc(C#N)cc(C(=O)NC2CC2)c1NC(=O)c1cc(Cn2nnc(C(F)(F)C(F)(F)F)n2)nn1-c1ncccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.35
RORC P51449 3/20 0.34
NTRK1 P04629 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
SLC2A1 P11166 1/20 0.32
SLC2A2 P11168 1/20 0.32
SLC2A3 P11169 1/20 0.32
SLC2A4 P14672 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
CRHR2 Q13324 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
CHRM4 P08173 1/20 0.32
TTK P33981 1/20 0.32
PDE4B Q07343 1/20 0.32
GRM4 Q14833 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
SCHEMBL13084846 0.97 RORC (0.34) CRHR1RORCNTRK1MAPK13MAPK12
SCHEMBL13085161 0.96 CRHR1 (0.34) CRHR1RORCNTRK1MAPK13MAPK12
SCHEMBL10075531 0.95 CRHR1 (0.37) CRHR1RORCNTRK1MAPK13MAPK12
SCHEMBL10089835 0.94 RORC (0.38) RORCNTRK1SLC2A1SLC2A2SLC2A3
SCHEMBL10089838 0.94 SLC2A1 (0.33) RORCSLC2A1SLC2A2SLC2A3SLC2A4
SCHEMBL10089479 0.93 ELANE (0.35) NTRK1IRAK4
SCHEMBL13084937 0.93 OPRL1 (0.35) CRHR1RORCNTRK1MAPK13MAPK12
SCHEMBL10089976 0.93 OPRL1 (0.37) CRHR1RORCMAPK13MAPK12MAPK11
SCHEMBL686481 0.92 CRHR1 (0.36) CRHR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL13085443 0.92 OPRL1 (0.36) CRHR1RORCMAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324390-B2 Tetrazole-substituted anthranilamides as pesticides BAYER CROPSCIENCE AG (DE) 2012-12-04 US disclosed
US-20120022112-A1 USE OF ANTHRANILAMIDE DERIVATIVES FOR CONTROLLING INSECTS AND SPIDER MITES BY DRENCHING, SOIL MIXING, FURROW TREATMENT, DRIP APPLICATION, SOIL, STEM OR FLOWER INJECTION, IN HYDROPONIC SYSTEMS, BY PLANTING HOLE TREATMENT OR DIP APPLICATION, FLOATING OR SEEDBOX APPLICATION OR BY TREATING SEED, AND ALSO FOR ENHANCING THE STRESS TOLERANCE OF PLANTS TO ABIOTIC STRESS BAYER CROPSCIENCE AG (DE) 2012-01-26 US disclosed
WO-2012010525-A2 USE OF ANTHRANILIC ACID AMIDE DERIVATIVES FOR CONTROLLING INSECTS AND SPIDER MITES BY WATERING, MIXING WITH SOIL, DRENCH TREATMENT, DROPLET APPLICATION, INJECTION INTO THE SOIL, STEMS OR BLOSSOMS, IN HYDROPONIC SYSTEMS, BY TREATING THE PLANTING HOLE OR IMMERSION APPLICATION, FLOATING OR SEED BOX APPLICATION OR BY THE TREATMENT OF SEEDS, AND FOR INCREASING THE STRESS TOLERANCE IN PLANTS TO ABIOTIC STRESS BAYER CROPSCIENCE AG (DE) 2012-01-26 WO disclosed
US-20120010073-A1 Anthranilamides in combination with fungicides BAYER CROPSCIENCE AG (DE) 2012-01-12 US disclosed
US-20110311503-A1 Active ingredient combinations having insecticidal and acaricidal properties BAYER CROPSCIENCE AG (DE) 2011-12-22 US disclosed
WO-2011157778-A1 ACTIVE SUBSTANCE COMBINATIONS WITH INSECTICIDE AND ACARICIDE PROPERTIES BAYER CROPSCIENCE AG (DE) 2011-12-22 WO disclosed
US-20100256195-A1 Tetrazole-substituted anthranilamides as pesticides BAYER CROPSCIENCE AG (DE) 2010-10-07 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 (4 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-20100256195-A1 Tetrazole-substituted anthranilamides as pesticides ANTXR2, PNISR, H1-5 CRHR1 4225/4885RORC 3454/4885NTRK1 2506/4885
US-20120010073-A1 Anthranilamides in combination with fungicides AADAC, ANTXR2, CYP51A1 CRHR1 4778/4885RORC 2166/4885NTRK1 4774/4885
US-20120022112-A1 USE OF ANTHRANILAMIDE DERIVATIVES FOR CONTROLLING INSECTS AND SPIDER MITES BY DRENCHING, SOIL MIXING, FURROW TREATMENT, DRIP APPLICATION, SOIL, STEM OR FLOWER INJECTION, IN HYDROPONIC SYSTEMS, BY PLANTING HOLE TREATMENT OR DIP APPLICATION, FLOATING OR SEEDBOX APPLICATION OR BY TREATING SEED, AND ALSO FOR ENHANCING THE STRESS TOLERANCE OF PLANTS TO ABIOTIC STRESS CDY1; CDY1B, DHX9, DHX29 CRHR1 1709/4885RORC 908/4885NTRK1 3877/4885
US-20110311503-A1 Active ingredient combinations having insecticidal and acaricidal properties ACHE, ACAT1, ACAT2 CRHR1 4562/4885RORC 3396/4885NTRK1 4722/4885

“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.