SCHEMBL21187487

SCHEMBL21187487

Cc1ccnc(Nc2c(N)cc(Cl)cc2F)c1-c1ccc(F)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 3/20 0.35
NISCH Q9Y2I1 1/20 0.34
CYP17A1 P05093 2/20 0.34
CYP1A2 P05177 1/20 0.34
DHODH Q02127 2/20 0.33
AGPAT2 O15120 1/20 0.33
IDO1 P14902 1/20 0.33
HSD11B1 P28845 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
SLC34A1 Q06495 1/20 0.32
GRM2 Q14416 1/20 0.32
ROS1 P08922 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL21187496 0.93 NISCH (0.34) TDO2NISCHCYP17A1CYP1A2DHODH
SCHEMBL21187575 0.85 EGFR (0.36) TDO2IDO1HSD11B1SLC34A1GRM2
SCHEMBL22599011 0.83 S1PR4 (0.36) CYP1A2DHODHHSD11B1ALDH1A1MAPK14
SCHEMBL22599067 0.81 TDO2 (0.35) TDO2NISCHCYP17A1IDO1GRM2
SCHEMBL22599079 0.79 ATM (0.36) CYP1A2DHODHALDH1A1MAPK14
SCHEMBL21187440 0.79 SLC34A1 (0.35) CYP17A1HSD11B1SLC34A1
SCHEMBL21187483 0.77 RAPGEF4 (0.39) DHODH
SCHEMBL21187438 0.75 HSD11B1 (0.42) NISCHCYP17A1CYP1A2HSD11B1GRM2
SCHEMBL21187443 0.74 TDO2 (0.35) TDO2NISCHCYP17A1ALDH1A1GRM2
SCHEMBL21187476 0.73 HSD11B1 (0.43) NISCHCYP17A1CYP1A2HSD11B1CDK2

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.