SCHEMBL30779385

SCHEMBL30779385

Cn1cc(-c2cc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])c(NCc3ccc4ncccc4c3)n2)cn1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 15/20 0.42
DYRK1A Q13627 2/20 0.40
GSK3B P49841 1/20 0.40
KDR P35968 2/20 0.39
WNT1 P04628 1/20 0.38

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
SCHEMBL12544634 1.00 MET (0.42) METDYRK1AGSK3BKDRWNT1
SCHEMBL2175368 0.90 MET (0.45) METDYRK1AKDRWNT1
SCHEMBL29773380 0.88 MET (0.43) METDYRK1AGSK3BKDRWNT1
SCHEMBL12693353 0.88 MET (0.43) METDYRK1AGSK3BKDRWNT1
SCHEMBL2361649 0.84 MET (0.48) METDYRK1AKDRWNT1
SCHEMBL12544010 0.84 ALOX5 (0.40) KDR
SCHEMBL30779384 0.84 ALOX5 (0.40) KDR
SCHEMBL12544633 0.83 DYRK1A (0.41) METDYRK1AGSK3BKDRWNT1
SCHEMBL29773408 0.82 MET (0.48) METDYRK1A
SCHEMBL2174986 0.82 MET (0.48) METDYRK1A

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-11896592-B2 Certain triazolopyridines and triazolopyrazines, compositions thereof and methods of use therefor HUTCHISON MEDIPHARMA LIMITED (CN) 2024-02-13 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-11896592-B2 Certain triazolopyridines and triazolopyrazines, compositions thereof and methods of use therefor TK2, TYMP, DPYD MET 3220/4885DYRK1A 1786/4885GSK3B 686/4885

“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.