SCHEMBL15475301

SCHEMBL15475301

CC(C)N(C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)C(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 1.00
PLK4 O00444 3/20 1.00
DYRK3 O43781 3/20 1.00
PRKD3 O94806 3/20 1.00
MAP4K4 O95819 3/20 1.00
AKT1 P31749 3/20 1.00
MAPKAPK2 P49137 3/20 1.00
CLK2 P49760 3/20 1.00
CSNK2A1 P68400 3/20 1.00
MAP4K2 Q12851 3/20 1.00
CAMK2D Q13557 3/20 1.00
MAPKAPK3 Q16644 3/20 1.00
TAOK1 Q7L7X3 3/20 1.00
MAPKAPK5 Q8IW41 3/20 1.00
AURKB Q96GD4 3/20 1.00
PBK Q96KB5 3/20 1.00
SRPK1 Q96SB4 3/20 1.00
SLK Q9H2G2 3/20 1.00
PLK3 Q9H4B4 3/20 1.00
CLK4 Q9HAZ1 3/20 1.00

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
SCHEMBL12501644 0.84 CDC7 (1.00) CDC7PLK4DYRK3PRKD3MAP4K4
SCHEMBL9613359 0.83 PTPN7 (0.77) CDC7PLK4DYRK3PRKD3MAP4K4
SCHEMBL9613324 0.81 PTPN7 (0.82) CDC7PLK4DYRK3PRKD3MAP4K4
SCHEMBL6238251 0.81 PTPN7 (1.00) CDC7PLK4DYRK3PRKD3MAP4K4
SCHEMBL9613329 0.79 PTPN7 (0.79) CDC7PLK4DYRK3PRKD3MAP4K4
SCHEMBL9613375 0.79 PTPN7 (1.00) CDC7PLK4DYRK3PRKD3MAP4K4
SCHEMBL9613383 0.79 PTPN7 (0.82) CDC7PLK4DYRK3PRKD3MAP4K4
SCHEMBL9613384 0.79 IKBKB (1.00) CDC7PLK4DYRK3PRKD3MAP4K4
SCHEMBL9613328 0.78 PTPN7 (1.00) CDC7PLK4DYRK3PRKD3MAP4K4
SCHEMBL9613362 0.78 PTPN7 (0.88) CDC7PLK4DYRK3PRKD3MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140050728-A1 METHODS AND COMPOSITIONS FOR INHIBITING CYCLOPHILIN D FOR THE TREATMENT AND PREVENTION OF OBESITY AND KIDNEY INDICATIONS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2014-02-20 US claimed
US-20140050728-A1 METHODS AND COMPOSITIONS FOR INHIBITING CYCLOPHILIN D FOR THE TREATMENT AND PREVENTION OF OBESITY AND KIDNEY INDICATIONS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2014-02-20 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 (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-20140050728-A1 METHODS AND COMPOSITIONS FOR INHIBITING CYCLOPHILIN D FOR THE TREATMENT AND PREVENTION OF OBESITY AND KIDNEY INDICATIONS PPIG, FKBP1B, PPIH CDC7 3217/4885PLK4 3667/4885DYRK3 4340/4885

“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.