SCHEMBL7603458

SCHEMBL7603458

Cc1nn2c(C)c(C)c(C)c2c(=O)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 15/20 0.36
ADORA3 P0DMS8 2/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 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
SCHEMBL11396433 0.71 PDE2A (0.47) PDE2A
SCHEMBL18362225 0.66 PDE2A (0.39) PDE2A
SCHEMBL18362090 0.65 PDE2A (0.38) PDE2AMAPK1
SCHEMBL18362093 0.64 PDE2A (0.42) PDE2A
SCHEMBL11395847 0.64 PDE5A (0.55) PDE2AADORA3
SCHEMBL12415257 0.63 APAF1 (0.33)
SCHEMBL5989848 0.62 KDM4E (0.37) PDE2AMAPK1
SCHEMBL18362232 0.61 PDE2A (0.48) PDE2A
SCHEMBL5863360 0.59 PARP1 (0.38) PDE2APARP1
SCHEMBL19398960 0.57 PDE9A (0.47) PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501699-B2 Bicyclic nucleosides and nucleotides as therapeutic agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-08-06 US disclosed
US-8415309-B2 Bicyclic nucleosides and nucleotides as therapeutic agents BIOTA SCIENTIFIC MANAGMENT PTY LTD (AT) 2013-04-09 US disclosed
US-20130018013-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-01-17 US disclosed
US-20120122811-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 US disclosed
US-8119607-B2 Bicyclic nucleosides and nucleotides as therapeutic agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-02-21 US disclosed
US-20100035836-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS BIOTA SCIENTIFIC MANAGEMENT (AU) 2010-02-11 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 (3 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-20120122811-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS NTPCR, PNP, DCTD PDE2A 1206/4885ADORA3 85/4885HPGD 941/4885
US-20100035836-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS NTPCR, PNP, DCTD PDE2A 1206/4885ADORA3 85/4885HPGD 941/4885
US-20130018013-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS NTPCR, PNP, DCTD PDE2A 1206/4885ADORA3 85/4885HPGD 941/4885

“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.