SCHEMBL2214720

SCHEMBL2214720

COc1ccc(C#Cc2cc3c(nc2F)N2C[C@@H](C)O[C@@H](C)[C@@H]2C2(C3)C(=O)NC(=O)NC2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.46

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
SCHEMBL2214563 0.82
SCHEMBL12704021 0.75 TOP2A (0.50) TOP2A
SCHEMBL13549729 0.73 TOP2A (0.47) TOP2A
SCHEMBL2216666 0.72 TOP2A (0.50) TOP2A
SCHEMBL3070253 0.72 TOP2A (0.47) TOP2A
SCHEMBL3062640 0.71 TOP2A (0.46) TOP2A
SCHEMBL2214217 0.71 TOP2A (0.50) TOP2A
SCHEMBL2215105 0.69 TOP2A (0.52) TOP2A
SCHEMBL3073378 0.69 TOP2A (0.49) TOP2A
SCHEMBL2212662 0.69

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-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL ASTRAZENECA R&D (SE) 2011-07-21 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-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL TBCA, TUBA1A, BROX TOP2A 585/4885

“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.