SCHEMBL25875776

SCHEMBL25875776

C=C(OC)C1(OC)CC=C(c2nc(Nc3cc(C)[nH]n3)c3cnn(C)c3n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 15/20 0.46
NTRK1 P04629 1/20 0.38
PAK4 O96013 3/20 0.34
PIK3CA P42336 2/20 0.34
EGFR P00533 1/20 0.34
AURKA O14965 2/20 0.33
AURKB Q96GD4 1/20 0.33

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
SCHEMBL25875766 0.90 PLK4 (0.44) PLK4NTRK1PAK4PIK3CAAURKA
SCHEMBL25875757 0.82 SHMT2 (0.31)
SCHEMBL25875778 0.79 PLK4 (0.47) PLK4NTRK1PAK4
SCHEMBL25876198 0.78 PLK4 (0.50) PLK4NTRK1PAK4AURKAAURKB
SCHEMBL28409102 0.73 AURKA (0.55) AURKAAURKB
SCHEMBL24668009 0.73 AURKA (0.54) AURKAAURKB
SCHEMBL30250065 0.73 AURKA (0.40) PAK4AURKAAURKB
SCHEMBL30250129 0.73 AURKA (0.38) PAK4AURKAAURKB
SCHEMBL30250187 0.73 AURKA (0.54) AURKAAURKB
SCHEMBL28415530 0.73 AURKA (0.40) PAK4AURKAAURKB

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 1763/4885NTRK1 29/4885PAK4 143/4885

“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.