SCHEMBL4268488

SCHEMBL4268488

Nc1nc(Sc2ccccc2)c2ncn(CC3(OCO[PH](=O)OCOC4(Cn5cnc6c(Sc7ccccc7)nc(N)nc65)CC4)CC3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.43
CYP2C19 P33261 5/20 0.43
CYP2C9 P11712 4/20 0.43
HIF1A Q16665 4/20 0.43
CYP3A4 P08684 3/20 0.43
ALDH1A1 P00352 1/20 0.43
PHLPP2 Q6ZVD8 1/20 0.43
SLC29A1 Q99808 5/20 0.36
HK1 P19367 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
CYP2D6 P10635 3/20 0.34
HRH4 Q9H3N8 1/20 0.33
ADORA2A P29274 2/20 0.32
ADORA1 P30542 1/20 0.32
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNE1 P24864 1/20 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
SCHEMBL2911646 0.83 CYP1A2 (0.41) CYP1A2CYP2C19CYP2C9HIF1ACYP3A4
SCHEMBL3288487 0.81 HSP90AB1 (0.43)
SCHEMBL4266236 0.80 CCNE1 (0.34) CYP1A2CYP2C19CYP2C9HIF1ACYP3A4
SCHEMBL4279987 0.80 HSP90AB1 (0.40) CYP2C19CDK1CCNB1CCNE1CDK2
SCHEMBL2911115 0.79 HSP90AB1 (0.43) CDK1CCNB1CCNE1CDK2
SCHEMBL4274883 0.78 CDK1 (0.35) CYP1A2CYP2C19CYP2D6CDK1CCNB1
SCHEMBL2911689 0.78 CDK1 (0.38) CYP1A2CYP2C19CYP2C9HIF1ACYP3A4
SCHEMBL2909064 0.77 CYP1A2 (0.38) CYP1A2CYP2C19CYP2C9HIF1ACYP3A4
SCHEMBL2996932 0.77 CYP1A2 (0.40) CYP1A2CYP2C19CYP2C9HIF1ACYP3A4
SCHEMBL2996929 0.77 CYP1A2 (0.40) CYP1A2CYP2C19CYP2C9HIF1ACYP3A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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.