SCHEMBL21179333

SCHEMBL21179333

Cc1ncnc(N)c1-c1ccc(F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.46
HSD11B1 P28845 2/20 0.41
CYP17A1 P05093 1/20 0.41
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
PPARG P37231 1/20 0.39
MCL1 Q07820 1/20 0.39
PTK2B Q14289 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
MAP4K4 O95819 4/20 0.39
ABL1 P00519 1/20 0.39
DGAT1 O75907 1/20 0.38
PTPN11 Q06124 1/20 0.38
RPS6KB1 P23443 4/20 0.37
NISCH Q9Y2I1 1/20 0.37
DRD1 P21728 2/20 0.37

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
SCHEMBL21187438 0.80 HSD11B1 (0.42) CLK1HSD11B1CYP17A1ABL1PTPN11
SCHEMBL21187437 0.79 HSP90AA1 (0.48) CLK1PPARGNR2E3NCOR2MAP4K4
SCHEMBL21177793 0.79 KIT (0.36) CLK1HSD11B1CYP17A1PTPN11NISCH
SCHEMBL6049437 0.79 PTPN11 (0.47) CLK1HSD11B1PTPN11NISCH
SCHEMBL21187476 0.78 HSD11B1 (0.43) HSD11B1CYP17A1ABL1PTPN11NISCH
SCHEMBL21187439 0.78 ADK (0.51) HSD11B1KDM4EHPGDDGAT1
SCHEMBL24158285 0.75 CLK1 (0.33) CLK1HSD11B1CYP17A1PTPN11RPS6KB1
SCHEMBL21187575 0.75 EGFR (0.36) CLK1HSD11B1
SCHEMBL21187440 0.75 SLC34A1 (0.35) CLK1HSD11B1CYP17A1
SCHEMBL173619 0.72 HSD11B1 (0.47) HSD11B1PTPN11NISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11440900-B2 Agricultural chemicals GLOBACHEM NV (BE) 2022-09-13 US disclosed
EP-3740474-B1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2022-01-05 EP disclosed
EP-3740474-B1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2022-01-05 EP disclosed
EP-3740474-A1 AGRICULTURAL CHEMICALS Globachem NV (BE) 2020-11-25 EP disclosed
US-20200339543-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2020-10-29 US 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
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 (2 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 CLK1 3320/4885HSD11B1 930/4885CYP17A1 773/4885
US-11440900-B2 Agricultural chemicals NAT1, CYP51A1, NOS1 CLK1 3809/4885HSD11B1 295/4885CYP17A1 470/4885

“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.