Sugi Predict

Sugi Predict / Compounds / SCHEMBL4266069

SCHEMBL4266069

SCHEMBL4266069

Nc1nc(O)c2ncn(CC3(NCO[PH](=O)OCNC4(Cn5cnc6c(O)nc(N)nc65)CC4)CC3)c2n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 6/20 0.35
▸ HDAC1 Q13547 5/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ CDK1 P06493 2/20 0.34
▸ CCNB1 P14635 2/20 0.34
▸ CCNE1 P24864 2/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ HSP90AB1 P08238 6/20 0.34
▸ HSP90AA1 P07900 5/20 0.34
▸ POLB P06746 2/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ HIF1A Q16665 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PHLPP2 Q6ZVD8 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ CYP2D6 P10635 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
SCHEMBL2911141 0.82 CDK2 (0.40) HDAC6HDAC1HDAC4CDK1CCNB1
SCHEMBL3291258 0.81 POLB (0.38) HDAC6HDAC1HDAC4CDK1CCNB1
SCHEMBL4266236 0.80 CCNE1 (0.34) HDAC6HDAC1HDAC4CDK1CCNB1
SCHEMBL2911149 0.79 CDK2 (0.43) HDAC6HDAC1HDAC4CDK1CCNB1
SCHEMBL4264576 0.77 CCNE1 (0.35) CDK1CCNB1CCNE1CDK2HSP90AB1
SCHEMBL4278186 0.74 CCNE1 (0.34) HDAC6HDAC1HDAC4CDK1CCNB1
SCHEMBL4278199 0.74 CCNE1 (0.34) CDK1CCNB1CCNE1CDK2HSP90AB1
SCHEMBL27577003 0.72 CCNE1 (0.33) HDAC6HDAC1HDAC4CDK1CCNB1
SCHEMBL2909425 0.71 CCNE1 (0.43) HDAC6HDAC1HDAC4CDK1CCNB1
SCHEMBL4270163 0.70 CCNE1 (0.39) HDAC6HDAC1HDAC4CDK1CCNB1

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 5 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-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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20060293284-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP HDAC6 1806/4885HDAC1 2564/4885HDAC4 2399/4885
US-20040063668-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP HDAC6 1806/4885HDAC1 2564/4885HDAC4 2399/4885

“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.