SCHEMBL22017328

SCHEMBL22017328

C[C@H]1Cn2cnc(C(=O)N[C@H](C)C(F)(F)F)c2CN1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.39
DYRK1A Q13627 5/20 0.39
PDE10A Q9Y233 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
JAK2 O60674 4/20 0.31
AXL P30530 3/20 0.31
EGLN1 Q9GZT9 2/20 0.31
JAK1 P23458 2/20 0.31
NTRK1 P04629 2/20 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
SCHEMBL20691568 0.80 GSK3B (0.39) GSK3BDYRK1APDE10ATRPM8JAK2
SCHEMBL21986904 0.78 NTRK1 (0.37) GSK3BDYRK1AJAK2JAK1NTRK1
SCHEMBL21986905 0.78 NTRK1 (0.37) GSK3BDYRK1AJAK2JAK1NTRK1
SCHEMBL20691569 0.78 NTRK1 (0.37) GSK3BDYRK1AJAK2JAK1NTRK1
Trifluoroacetic Acid SCHEMBL21986919 0.77 GSK3B (0.38) GSK3BDYRK1APDE10AEGLN1
Trifluoroacetic Acid SCHEMBL21986921 0.77 GSK3B (0.38) GSK3BDYRK1APDE10AEGLN1
Trifluoroacetic Acid SCHEMBL28435693 0.76 KDM4E (0.32)
SCHEMBL22053570 0.75 NPSR1 (0.34)
SCHEMBL21958277 0.75
SCHEMBL28792085 0.72 GSK3B (0.37) GSK3BDYRK1APDE10ATRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200157111-A1 PIPERAZINE HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE OF SAME IN MEDICINE JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2020-05-21 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-20200157111-A1 PIPERAZINE HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE OF SAME IN MEDICINE IKZF2, WEE1, NOTUM GSK3B 1048/4885DYRK1A 4430/4885PDE10A 2707/4885

“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.