SCHEMBL30779384

SCHEMBL30779384

CC(C)(C)OC(=O)Nc1cc(Cl)nc(NCc2ccc3ncccc3c2)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.40
KDR P35968 11/20 0.39
HDAC3 O15379 2/20 0.38
FLT1 P17948 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
ANO1 Q5XXA6 1/20 0.37
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36

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
SCHEMBL12544010 1.00 ALOX5 (0.40) ALOX5KDRHDAC3FLT1HDAC6
SCHEMBL2195228 0.89 ALOX5 (0.42) ALOX5KDRHDAC3FLT1HDAC6
SCHEMBL2175935 0.88 ALOX5 (0.43) ALOX5KDRHDAC3FLT1HDAC6
SCHEMBL2178270 0.88 ALOX5 (0.43) ALOX5KDRHDAC3FLT1HDAC6
SCHEMBL28093003 0.86 HDAC3 (0.39) ALOX5HDAC3ANO1
SCHEMBL12544634 0.84 MET (0.42) KDR
SCHEMBL30779385 0.84 MET (0.42) KDR
SCHEMBL12489601 0.83 KDR (0.36) ALOX5KDRFLT1AURKARPS6KB1
SCHEMBL12544009 0.80 DOT1L (0.41) ALOX5
SCHEMBL2177207 0.79 MAPT (0.42) ALOX5KDRHDAC3HDAC6

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 ALOX5 989/4885KDR 513/4885HDAC3 2504/4885

“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.