SCHEMBL2909064

SCHEMBL2909064

Nc1nc(Sc2ccccc2)c2ncn(CC3(OC(CC(F)(F)F)(CC(F)(F)F)P(=O)(O)O)CC3)c2n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP2C9 P11712 2/20 0.38
HIF1A Q16665 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
PHLPP2 Q6ZVD8 1/20 0.38
PNP P00491 6/20 0.34
HK1 P19367 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
SLC29A1 Q99808 3/20 0.33
HRH4 Q9H3N8 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL2914175 0.92 CYP2C19 (0.34) CYP1A2CYP2C19CYP2C9HIF1AALDH1A1
SCHEMBL3000654 0.90 HSP90AA1 (0.35) CYP1A2CYP2C19CYP2C9HIF1AALDH1A1
SCHEMBL2983884 0.89 CYP1A2 (0.37) CYP1A2CYP2C19CYP3A4SLC29A1
SCHEMBL2983874 0.89 CYP1A2 (0.37) CYP1A2CYP2C19CYP3A4SLC29A1
SCHEMBL3293405 0.84 CDK1 (0.44) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL2911369 0.83 PNP (0.35) PNPHDAC1HDAC2
SCHEMBL2911269 0.83 HDAC6 (0.41) HDAC1HDAC2
SCHEMBL7128677 0.83 CYP2C19 (0.41) CYP1A2CYP2C19CYP2C9HIF1AALDH1A1
SCHEMBL2911646 0.83 CYP1A2 (0.41) CYP1A2CYP2C19CYP2C9HIF1AALDH1A1
SCHEMBL2996929 0.82 CYP1A2 (0.40) CYP1A2CYP2C19CYP2C9HIF1AALDH1A1

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 CYP1A2 2149/4885CYP2C19 1478/4885CYP2C9 2182/4885
US-20060293284-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP CYP1A2 1553/4885CYP2C19 681/4885CYP2C9 502/4885
US-20040063668-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP CYP1A2 1553/4885CYP2C19 681/4885CYP2C9 502/4885

“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.