SCHEMBL2910504

SCHEMBL2910504

Cc1ccc(Sc2nc(N)nc3c2ncn3CC2(OCP(=O)(O)O)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.37
CYP1A2 P05177 4/20 0.35
HPRT1 P00492 2/20 0.34
HK1 P19367 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 3/20 0.34
HIF1A Q16665 3/20 0.34
SLC29A1 Q99808 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PHLPP2 Q6ZVD8 1/20 0.34
PNP P00491 4/20 0.33
CYP2D6 P10635 2/20 0.33
POLB P06746 2/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL2907738 0.91 HSP90AA1 (0.37) CYP2C19CYP1A2HPRT1HK1HKDC1
SCHEMBL2911646 0.91 CYP1A2 (0.41) CYP2C19CYP1A2HPRT1HK1HKDC1
SCHEMBL2914545 0.89 CYP1A2 (0.40) CYP2C19CYP1A2HPRT1CYP3A4SLC29A1
SCHEMBL2912855 0.87 CYP2C19 (0.35) CYP2C19CYP1A2HPRT1HK1HKDC1
SCHEMBL2908636 0.84 FAP (0.43) CYP2C19CYP1A2HK1HKDC1TDP1
SCHEMBL2914175 0.83 CYP2C19 (0.34) CYP2C19CYP1A2HK1HKDC1CYP3A4
SCHEMBL2908457 0.83 CYP2C19 (0.37) CYP2C19CYP1A2HPRT1HK1HKDC1
SCHEMBL3290871 0.83 HSP90AB1 (0.40) CYP2C19HPRT1CYP3A4PNPPOLB
SCHEMBL2914722 0.82 ABCB11 (0.39) CYP2C19
Lb80317 SCHEMBL2905773 0.81 POLB (0.39) HPRT1CYP3A4PNPPOLB

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 10 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 claimed
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 claimed
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 claimed
US-20060052346-A1 Nucleoside phosphonate derivatives useful in the treatment of HIV infections LG LIFE SCIENCES LTD. (KR) 2006-03-09 US claimed
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-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 (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-20060052346-A1 Nucleoside phosphonate derivatives useful in the treatment of HIV infections PNP, TYMP, ENTPD5 CYP2C19 1478/4885CYP1A2 2149/4885HPRT1 5/4885
US-20060293284-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP CYP2C19 681/4885CYP1A2 1553/4885HPRT1 34/4885
US-20040063668-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP CYP2C19 681/4885CYP1A2 1553/4885HPRT1 34/4885

“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.