SCHEMBL2909221

SCHEMBL2909221

CC(C)C(OC1(Cn2cnc3c(I)nc(N)nc32)CC1(C)C)(C(C)C)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 6/20 0.34
CCNE1 P24864 3/20 0.34
CDK2 P24941 3/20 0.34
POLB P06746 2/20 0.34
CDK1 P06493 2/20 0.34
CCNB1 P14635 2/20 0.34
CYP2C19 P33261 1/20 0.34
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 0.33
PNP P00491 3/20 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
SCHEMBL2913580 0.82 CYP3A4 (0.50)
SCHEMBL13328656 0.79 HSP90AA1 (0.33) HPRT1CCNE1CDK2POLBCDK1
SCHEMBL3134817 0.76 HSP90AB1 (0.41) HSP90AA1HSP90AB1
SCHEMBL2914387 0.75 FAP (0.35) HPRT1CCNE1CDK2POLBCYP2C19
SCHEMBL2913721 0.74 HSP90AB1 (0.42) HSP90AA1HSP90AB1
SCHEMBL2906275 0.73 POLB (0.38) HPRT1CCNE1CDK2POLBCDK1
SCHEMBL6004197 0.72 CDK2 (0.44) HPRT1CCNE1CDK2POLBCDK1
SCHEMBL4265436 0.72 CCNE1 (0.37) HPRT1CCNE1CDK2POLBCDK1
SCHEMBL6257806 0.72 POLB (0.38) HPRT1POLBPNP
SCHEMBL4265441 0.72 POLB (0.36) HPRT1CCNE1CDK2POLBCDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358198-B1 NOVEL ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVES, SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME LG LIFE SCIENCES LTD (KR) 2010-08-25 EP disclosed
US-7723319-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2010-05-25 US disclosed
US-20100004440-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same CHO DONG-GYU 2010-01-07 US disclosed
US-7605147-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2009-10-20 US disclosed
US-7157448-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2007-01-02 US disclosed
US-20060293284-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same CHO DONG-GYU 2006-12-28 US disclosed
US-20060052346-A1 Nucleoside phosphonate derivatives useful in the treatment of HIV infections LG LIFE SCIENCES LTD. (KR) 2006-03-09 US disclosed
US-20040063668-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2004-04-01 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 (4 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-20060052346-A1 Nucleoside phosphonate derivatives useful in the treatment of HIV infections PNP, TYMP, ENTPD5 HPRT1 5/4885CCNE1 1095/4885CDK2 1101/4885
US-20100004440-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP HPRT1 34/4885CCNE1 1216/4885CDK2 671/4885
US-20060293284-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP HPRT1 34/4885CCNE1 1216/4885CDK2 671/4885
US-20040063668-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP HPRT1 34/4885CCNE1 1216/4885CDK2 671/4885

“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.