SCHEMBL13618228

SCHEMBL13618228

Cc1nc(=O)nc(C)n1C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK2 Q92630 1/20 0.32

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
SCHEMBL14081583 0.71 GAA (0.40)
SCHEMBL13009901 0.70 LMNA (0.37)
SCHEMBL12149800 0.69 KDM4E (0.32)
SCHEMBL8744681 0.68 CDK9 (0.32) CDK9DYRK1ADYRK2
SCHEMBL21363701 0.68 TRPA1 (0.30)
SCHEMBL21721109 0.65 ALDH1A1 (0.32) CDK9DYRK1ADYRK2
SCHEMBL12109538 0.64 RGS4 (0.36)
SCHEMBL12251590 0.62
SCHEMBL16589269 0.61 HSD17B10 (0.44)
SCHEMBL1299013 0.59 LMNA (0.31)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415321-B2 Nucleoside derivatives for treatment of Caliciviridae infections, including Norovirus infections THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2013-04-09 US disclosed
US-20090280084-A1 NUCLEOSIDE DERIVATIVES FOR TREATMENT OF CALICIVIRIDAE INFECTIONS, INCLUDING NOROVIRUS INFECTIONS THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2009-11-12 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-20090280084-A1 NUCLEOSIDE DERIVATIVES FOR TREATMENT OF CALICIVIRIDAE INFECTIONS, INCLUDING NOROVIRUS INFECTIONS PNP, NUDT1, RNMT CDK9 2261/4885DYRK1A 4311/4885DYRK2 4207/4885

“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.