SCHEMBL21187443

SCHEMBL21187443

Nc1cc(F)cc(F)c1Nc1ccnc(Cl)c1-c1ccc(F)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 4/20 0.35
NISCH Q9Y2I1 1/20 0.35
CYP17A1 P05093 1/20 0.35
GRM2 Q14416 1/20 0.32
MAPK14 Q16539 4/20 0.32
MAPK13 O15264 2/20 0.31
MAPK12 P53778 2/20 0.31
MAPK11 Q15759 2/20 0.31
FERMT2 Q96AC1 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
JAK2 O60674 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CLK1 P49759 1/20 0.30
KIT P10721 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL22599067 0.93 TDO2 (0.35) TDO2NISCHCYP17A1GRM2MAPK14
SCHEMBL22599068 0.82 ATM (0.38) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL21187496 0.81 NISCH (0.34) TDO2NISCHCYP17A1MAPK14JAK2
SCHEMBL21187441 0.80 RAPGEF4 (0.35) TDO2MAPK14
SCHEMBL22599078 0.79 HSP90AA1 (0.37) TDO2GRM2FERMT2
SCHEMBL22599083 0.78 EPAS1 (0.37) GRM2MAPK14ALDH1A1RAB9A
SCHEMBL24158423 0.77 TDO2 (0.38) TDO2MAPK14MAPK13MAPK12MAPK11
SCHEMBL21187570 0.77 NISCH (0.42) TDO2NISCHCYP17A1GRM2MAPK14
SCHEMBL21187440 0.75 SLC34A1 (0.35) CYP17A1JAK2CLK1KIT
SCHEMBL21187487 0.74 TDO2 (0.35) TDO2NISCHCYP17A1GRM2MAPK14

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
EP-3740474-B1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2022-01-05 EP disclosed
US-20200339543-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2020-10-29 US disclosed
WO-2019141972-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 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-20200339543-A1 AGRICULTURAL CHEMICALS ABAT, BRDT, GABBR1 TDO2 497/4885NISCH 98/4885CYP17A1 773/4885

“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.