SCHEMBL2914175

SCHEMBL2914175

Cc1ccc(Sc2nc(N)nc3c2ncn3CC2(OC(CC(F)(F)F)(CC(F)(F)F)P(=O)(O)O)CC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.34
CYP1A2 P05177 4/20 0.32
HK1 P19367 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
HIF1A Q16665 2/20 0.31
SLC29A1 Q99808 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PHLPP2 Q6ZVD8 1/20 0.31
CYP2D6 P10635 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
PNP P00491 3/20 0.30

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
SCHEMBL3000654 0.92 HSP90AA1 (0.35) CYP2C19CYP1A2HK1HKDC1CYP3A4
SCHEMBL2909064 0.92 CYP1A2 (0.38) CYP2C19CYP1A2HK1HKDC1CYP3A4
SCHEMBL2983874 0.89 CYP1A2 (0.37) CYP2C19CYP1A2CYP3A4SLC29A1
SCHEMBL2983884 0.89 CYP1A2 (0.37) CYP2C19CYP1A2CYP3A4SLC29A1
SCHEMBL2910504 0.83 CYP2C19 (0.37) CYP2C19CYP1A2HK1HKDC1CYP3A4
SCHEMBL3293405 0.83 CDK1 (0.44) CDK1CCNB1CCNE1CDK2PNP
SCHEMBL2911269 0.82 HDAC6 (0.41)
SCHEMBL2911369 0.82 PNP (0.35) CDK1CCNB1CCNE1CDK2PNP
SCHEMBL2912438 0.81 HSP90AB1 (0.39) CDK1CCNB1CCNE1CDK2PNP
SCHEMBL3290187 0.81 HSP90AA1 (0.33) CYP2C19CYP1A2HK1HKDC1PNP

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 CYP2C19 1478/4885CYP1A2 2149/4885HK1 1009/4885
US-20060293284-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP CYP2C19 681/4885CYP1A2 1553/4885HK1 1106/4885
US-20040063668-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP CYP2C19 681/4885CYP1A2 1553/4885HK1 1106/4885

“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.