SCHEMBL25875763

SCHEMBL25875763

Cc1nc(Nc2cc(C)[nH]n2)c2cnn(C)c2n1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 14/20 0.63
PAK4 O96013 3/20 0.48
NTRK1 P04629 1/20 0.47
AURKA O14965 4/20 0.46
AURKB Q96GD4 3/20 0.46
SRC P12931 2/20 0.43
GSK3B P49841 2/20 0.43
EIF2AK2 P19525 1/20 0.43
GSK3A P49840 1/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PDE2A O00408 1/20 0.42

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
SCHEMBL22054255 0.87 PLK4 (0.67) PLK4PAK4NTRK1MEN1HTT
SCHEMBL30373001 0.82 HAVCR2 (0.56) PLK4AURKAAURKBMEN1KMT2A
SCHEMBL25884471 0.81 PLK4 (0.54) PLK4PAK4NTRK1GSK3BGSK3A
SCHEMBL173716 0.78 PLK4 (0.58) PLK4PAK4NTRK1AURKAAURKB
SCHEMBL174456 0.78 PLK4 (0.59) PLK4PAK4NTRK1AURKAMEN1
SCHEMBL25882406 0.77 PLK4 (0.51) PLK4PAK4NTRK1PDE2A
SCHEMBL23889636 0.77 PLK4 (0.57) PLK4PAK4NTRK1
SCHEMBL174860 0.76 PLK4 (0.56) PLK4PAK4NTRK1AURKB
SCHEMBL23889314 0.75 PLK4 (0.75) PLK4PAK4
SCHEMBL25875753 0.74 RET (0.46) PLK4PAK4NTRK1AURKAAURKB

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-20230234954-A1 COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF TYK MEDICINES, INC. (CN) 2023-07-27 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-20230234954-A1 COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF RET, ROR1, FGFR3 PLK4 1763/4885PAK4 143/4885NTRK1 29/4885

“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.