SCHEMBL3293399

SCHEMBL3293399

Nc1nc(O)c2ncn(CC3(/C=C/P(=O)(O)O)CC3)c2n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNP P00491 4/20 0.36
CCNE1 P24864 5/20 0.35
CDK2 P24941 5/20 0.35
CDK1 P06493 3/20 0.35
CCNB1 P14635 3/20 0.35
POLB P06746 2/20 0.34
HDAC6 Q9UBN7 3/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC4 P56524 1/20 0.34
HPRT1 P00492 5/20 0.32
CYP2C19 P33261 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
SCHEMBL3293421 1.00 PNP (0.36) PNPCCNE1CDK2CDK1CCNB1
SCHEMBL2911493 0.83 HDAC6 (0.43) PNPHDAC6
SCHEMBL2911483 0.83 HDAC6 (0.43) PNPHDAC6
SCHEMBL4278186 0.81 CCNE1 (0.34) CCNE1CDK2CDK1CCNB1HDAC6
SCHEMBL5942559 0.80 ABCB11 (0.41) CCNE1CDK2CDK1CCNB1CYP2C19
SCHEMBL27577003 0.80 CCNE1 (0.33) CCNE1CDK2CDK1CCNB1HDAC6
SCHEMBL2907915 0.80 FGFR1 (0.49)
SCHEMBL2907926 0.80 FGFR1 (0.49)
SCHEMBL2911916 0.78 ABCB11 (0.39)
Lb80317 SCHEMBL2905773 0.76 POLB (0.39) PNPCCNE1CDK2CDK1CCNB1

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-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 PNP 1/4885CCNE1 1095/4885CDK2 1101/4885
US-20060293284-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP PNP 1/4885CCNE1 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 PNP 1/4885CCNE1 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.