SCHEMBL2996820

SCHEMBL2996820

CC(C)Nc1nc(N)nc2c1ncn2CC1(OC(CC(F)(F)F)(CC(F)(F)F)P(=O)(O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
CDK1 P06493 2/20 0.34
CDK2 P24941 2/20 0.34
PRKACA P17612 1/20 0.34
CCNA2 P20248 1/20 0.34
PRKACG P22612 1/20 0.34
PRKACB P22694 1/20 0.34
MAPK3 P27361 1/20 0.34
MAPK1 P28482 1/20 0.34
CCNA1 P78396 1/20 0.34
NT5E P21589 3/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC8 Q9BY41 2/20 0.33
CCNB1 P14635 1/20 0.32
CCNE1 P24864 1/20 0.32
HDAC3 O15379 1/20 0.32
PNP P00491 2/20 0.32
P2RY1 P47900 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
SCHEMBL3293405 0.85 CDK1 (0.44) POLBCDK1CDK2NT5ECCNB1
SCHEMBL2911369 0.85 PNP (0.35) POLBCDK1CDK2HDAC1HDAC2
SCHEMBL2911269 0.85 HDAC6 (0.41) HDAC1HDAC2
SCHEMBL2912438 0.84 HSP90AB1 (0.39) POLBCDK1CDK2HDAC1HDAC2
SCHEMBL2912568 0.83 PDE4A (0.35) POLBCDK1CDK2CCNB1CCNE1
SCHEMBL2914091 0.82 POLB (0.42) POLBCDK1CDK2PRKACACCNA2
SCHEMBL2988381 0.81 CDK2 (0.36) POLBCDK1CDK2PRKACACCNA2
SCHEMBL2988384 0.80 CDK1 (0.36) POLBCDK1CDK2PRKACACCNA2
SCHEMBL3288528 0.79 HDAC1 (0.44) NT5EHDAC1HDAC2HDAC8HDAC3
SCHEMBL2914175 0.78 CYP2C19 (0.34) CDK1CDK2CCNB1CCNE1PNP

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-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-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 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 POLB 149/4885CDK1 548/4885CDK2 1101/4885
US-20060293284-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP POLB 189/4885CDK1 452/4885CDK2 671/4885
US-20040063668-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP POLB 189/4885CDK1 452/4885CDK2 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.