SCHEMBL21643599

SCHEMBL21643599

CC(=O)NCCN(C)CCCCNc1ccnc2cc(C(F)(F)F)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 5/20 0.46
GSK3A P49840 5/20 0.46
GSK3B P49841 5/20 0.46
KDR P35968 3/20 0.46
STK17A Q9UEE5 3/20 0.46
CLK2 P49760 3/20 0.46
PRKD3 O94806 2/20 0.46
MAP4K4 O95819 2/20 0.46
AURKB Q96GD4 2/20 0.46
PRKD2 Q9BZL6 2/20 0.46
DYRK3 O43781 2/20 0.46
DYRK1A Q13627 2/20 0.46
CDK5 Q00535 2/20 0.46
PLK4 O00444 1/20 0.46
CHEK2 O96017 1/20 0.46
FGFR1 P11362 1/20 0.46
CDK2 P24941 1/20 0.46
FLT4 P35916 1/20 0.46
LIMK1 P53667 1/20 0.46
CSNK1G2 P78368 1/20 0.46

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
SCHEMBL21687421 0.91 CLK4 (0.44) CLK4GSK3AGSK3BKDRSTK17A
SCHEMBL21687782 0.91 CLK4 (0.44) CLK4GSK3AGSK3BKDRSTK17A
SCHEMBL15483262 0.84 CCNC (0.52) CLK4GSK3AGSK3BKDRSTK17A
SCHEMBL2328345 0.79 FERMT2 (0.51) CLK4GSK3AGSK3BKDRSTK17A
SCHEMBL23928759 0.79 KDM4E (0.54) CLK4GSK3AGSK3BKDRSTK17A
SCHEMBL30274560 0.79 KDM4E (0.54) CLK4GSK3AGSK3BKDRSTK17A
SCHEMBL8541628 0.78 FERMT2 (0.57) CLK4GSK3AGSK3BKDRSTK17A
SCHEMBL18290322 0.76 FERMT2 (0.64) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL18290329 0.74 FERMT2 (0.62) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL5240032 0.74 CLK4 (0.55) CLK4GSK3AGSK3BKDRSTK17A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11242531-B2 Compositions and methods for the treatment of hypercholesterolemia CITY OF HOPE (US) 2022-02-08 US disclosed
US-11242531-B2 Compositions and methods for the treatment of hypercholesterolemia CITY OF HOPE (US) 2022-02-08 US disclosed
US-20200040343-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-02-06 US disclosed
US-20200040343-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-02-06 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 (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-20200040343-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA LDLR, APOB, PCSK9 CLK4 1835/4885GSK3A 2065/4885GSK3B 2303/4885
US-11242531-B2 Compositions and methods for the treatment of hypercholesterolemia LDLR, APOB, PCSK9 CLK4 1835/4885GSK3A 2065/4885GSK3B 2303/4885

“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.