SCHEMBL600702

SCHEMBL600702

Nc1nc2c(ncn2C2CC(CO)C2F)c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.52
HPRT1 P00492 3/20 0.52
PNP P00491 4/20 0.51
AHCY P23526 2/20 0.48
STING1 Q86WV6 1/20 0.48
TK1 P04183 2/20 0.47
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
EDNRA P25101 1/20 0.46
HTR2A P28223 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
HBB P68871 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL600701 1.00 ADORA3 (0.52) ADORA3HPRT1PNPAHCYSTING1
SCHEMBL10171928 1.00 ADORA3 (0.52) ADORA3HPRT1PNPAHCYSTING1
SCHEMBL10647267 0.92 ADORA3 (0.54) ADORA3HPRT1PNPAHCYSTING1
SCHEMBL10364286 0.92 ADORA3 (0.54) ADORA3HPRT1PNPAHCYSTING1
SCHEMBL10364278 0.92 ADORA3 (0.54) ADORA3HPRT1PNPAHCYSTING1
SCHEMBL10364294 0.92 ADORA3 (0.54) ADORA3HPRT1PNPAHCYSTING1
SCHEMBL10364276 0.92 ADORA3 (0.54) ADORA3HPRT1PNPAHCYSTING1
SCHEMBL9308999 0.90 PNP (0.59) ADORA3HPRT1PNPAHCYTK1
SCHEMBL9309006 0.90 PNP (0.59) ADORA3HPRT1PNPAHCYTK1
SCHEMBL9309114 0.90 PNP (0.59) ADORA3HPRT1PNPAHCYTK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114994-B2 2′ and 3′-substituted cyclobutyl nucleoside analogs for the treatment viral infections and abnormal cellular proliferation EMORY UNIVERSITY (US) 2012-02-14 US disclosed
US-20090149416-A1 2' and 3'-Substituted Cyclobutyl Nucleoside Analogs for the Treatment Viral Infections and Abnormal Cellular Proliferation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-06-11 US disclosed
US-7495006-B2 2′ and 3′-substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation EMORY UNIVERSITY (US) 2009-02-24 US disclosed
US-20060223835-A1 2' and 3'- substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation EMORY UNIVERSITY 2006-10-05 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 (2 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-20090149416-A1 2' and 3'-Substituted Cyclobutyl Nucleoside Analogs for the Treatment Viral Infections and Abnormal Cellular Proliferation HAVCR2, PNP, PCNA ADORA3 790/4885HPRT1 4/4885PNP 2/4885
US-20060223835-A1 2' and 3'- substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation HAVCR2, PNP, DCTD ADORA3 780/4885HPRT1 5/4885PNP 2/4885

“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.