SCHEMBL4850989

SCHEMBL4850989

Nc1nc2c(ncn2C2CCC(CC(=O)O)CC2N)c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNP P00491 3/20 0.49
HPRT1 P00492 8/20 0.48
ADCY5 O95622 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
EDNRA P25101 1/20 0.43
HTR2A P28223 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
HBB P68871 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL6717369 0.81 HPRT1 (0.42) PNPHPRT1ADCY5ADORA3
SCHEMBL6717375 0.81 HPRT1 (0.42) PNPHPRT1ADCY5ADORA3
SCHEMBL4851387 0.79 ADCY5 (0.74) ADCY5
SCHEMBL9471442 0.76 ADORA3 (0.54) PNPHPRT1ADORA3USP2TSHR
SCHEMBL23721010 0.74 HPRT1 (0.55) PNPHPRT1ADCY5ADORA3USP2
SCHEMBL10394261 0.74 HPRT1 (0.55) PNPHPRT1ADCY5ADORA3USP2
SCHEMBL9308999 0.74 PNP (0.59) PNPHPRT1ADORA3USP2TSHR
SCHEMBL9309114 0.74 PNP (0.59) PNPHPRT1ADORA3USP2TSHR
SCHEMBL9309006 0.74 PNP (0.59) PNPHPRT1ADORA3USP2TSHR
SCHEMBL600702 0.73 ADORA3 (0.52) PNPHPRT1ADORA3USP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1049678-B1 CYCLOHEXYL AND HETEROCYCLYL NUCLEOSIDE DERIVATIVES, METHOD FOR PRODUCING THESE DERIVATIVES, AND THE USE OF THE DERIVATIVES AND THEIR OLIGOMERS OR CONJUGATES IN PAIRING AND/OR TESTING SYSTEMS SANOFI SA (FR) 2012-10-24 EP claimed
US-7439345-B2 Supramolecular pairing system, its preparation and use NANOGEN RECOGNOMICS GMBH (DE) 2008-10-21 US claimed
US-6689884-B1 Supramolecular pairing system, its preparation and use NANOGEN RECOGNOMICS GMBH (DE) 2004-02-10 US claimed
EP-1049678-A2 CYCLOHEXYL AND HETEROCYCLYL NUCLEOSIDE DERIVATIVES, METHOD FOR PRODUCING THESE DERIVATIVES, AND THE USE OF THE DERIVATIVES AND THEIR OLIGOMERS OR CONJUGATES IN PAIRING AND/OR TESTING SYSTEMS Nanogen Recognomics GmbH (DE) 2000-11-08 EP claimed
WO-1999015509-A2 CYCLOHEXYL AND HETEROCYCLYL NUCLEOSIDE DERIVATIVES, METHOD FOR PRODUCING THESE DERIVATIVES, AND THE USE OF THE DERIVATIVES AND THEIR OLIGOMERS OR CONJUGATES IN PAIRING AND/OR TESTING SYSTEMS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1999-04-01 WO claimed
EP-1049678-B1 CYCLOHEXYL AND HETEROCYCLYL NUCLEOSIDE DERIVATIVES, METHOD FOR PRODUCING THESE DERIVATIVES, AND THE USE OF THE DERIVATIVES AND THEIR OLIGOMERS OR CONJUGATES IN PAIRING AND/OR TESTING SYSTEMS SANOFI SA (FR) 2012-10-24 EP disclosed
US-7439345-B2 Supramolecular pairing system, its preparation and use NANOGEN RECOGNOMICS GMBH (DE) 2008-10-21 US disclosed
US-20040142451-A1 Supramolecular pairing system, its preparation and use NANOGEN RECOGNOMICS GMBH (DE) 2004-07-22 US disclosed
US-6689884-B1 Supramolecular pairing system, its preparation and use NANOGEN RECOGNOMICS GMBH (DE) 2004-02-10 US disclosed
EP-1049678-A2 CYCLOHEXYL AND HETEROCYCLYL NUCLEOSIDE DERIVATIVES, METHOD FOR PRODUCING THESE DERIVATIVES, AND THE USE OF THE DERIVATIVES AND THEIR OLIGOMERS OR CONJUGATES IN PAIRING AND/OR TESTING SYSTEMS Nanogen Recognomics GmbH (DE) 2000-11-08 EP disclosed
WO-1999015509-A2 CYCLOHEXYL AND HETEROCYCLYL NUCLEOSIDE DERIVATIVES, METHOD FOR PRODUCING THESE DERIVATIVES, AND THE USE OF THE DERIVATIVES AND THEIR OLIGOMERS OR CONJUGATES IN PAIRING AND/OR TESTING SYSTEMS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1999-04-01 WO 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-20040142451-A1 Supramolecular pairing system, its preparation and use TIMCC, MTCL3, UACA PNP 4816/4885HPRT1 2316/4885ADCY5 1862/4885

“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.