SCHEMBL25875766

SCHEMBL25875766

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

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 6/20 0.44
NTRK1 P04629 1/20 0.39
AURKA O14965 4/20 0.36
AURKB Q96GD4 2/20 0.36
PAK4 O96013 6/20 0.36
PIK3CA P42336 4/20 0.35
RET P07949 1/20 0.34

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
SCHEMBL25875776 0.90 PLK4 (0.46) PLK4NTRK1AURKAAURKBPAK4
SCHEMBL25876198 0.87 PLK4 (0.50) PLK4NTRK1AURKAAURKBPAK4
SCHEMBL28416436 0.83 AURKA (0.38) AURKAAURKBPAK4RET
SCHEMBL30250187 0.83 AURKA (0.54) AURKAAURKB
SCHEMBL30250129 0.83 AURKA (0.38) AURKAAURKBPAK4RET
SCHEMBL24668009 0.83 AURKA (0.54) AURKAAURKB
SCHEMBL25875751 0.82 TP53 (0.32) PIK3CA
SCHEMBL25875867 0.80 TP53 (0.32) PIK3CA
SCHEMBL25875753 0.79 RET (0.46) PLK4NTRK1AURKAAURKBPAK4
SCHEMBL30250189 0.78 PAK1 (0.45) AURKAAURKBPAK4RET

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 29/4885AURKA 891/4885

“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.