SCHEMBL4277756

SCHEMBL4277756

Nc1nc(N2CCOCC2)c2ncn(CC3(OCO[PH](=O)OCOC4(Cn5cnc6c(N7CCOCC7)nc(N)nc65)CC4)CC3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.45
HDAC2 Q92769 2/20 0.45
TLR9 Q9NR96 4/20 0.40
TLR7 Q9NYK1 4/20 0.40
HRH4 Q9H3N8 1/20 0.39
PIK3CA P42336 5/20 0.39
MTOR P42345 3/20 0.39
PIK3R1 P27986 3/20 0.39
PIK3CD O00329 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
STAT3 P40763 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
MGMT P16455 1/20 0.35
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL2911713 0.91 TLR9 (0.44) HDAC1HDAC2TLR9TLR7HRH4
SCHEMBL3287756 0.83 HDAC1 (0.47) HDAC1HDAC2TLR9TLR7HRH4
SCHEMBL3288487 0.82 HSP90AB1 (0.43) HDAC1HDAC6
SCHEMBL4279987 0.81 HSP90AB1 (0.40)
SCHEMBL4266236 0.81 CCNE1 (0.34) HDAC1HDAC6
SCHEMBL2911115 0.79 HSP90AB1 (0.43)
SCHEMBL4274883 0.79 CDK1 (0.35)
SCHEMBL2911689 0.79 CDK1 (0.38) TLR9TLR7
SCHEMBL3288528 0.77 HDAC1 (0.44) HDAC1HDAC2TLR9TLR7HRH4
SCHEMBL4267837 0.77 ABCB11 (0.44) HDAC1HDAC2TLR9TLR7HRH4

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 HDAC1 1485/4885HDAC2 3043/4885TLR9 1302/4885
US-20060293284-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP HDAC1 2564/4885HDAC2 2752/4885TLR9 1518/4885
US-20040063668-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP HDAC1 2564/4885HDAC2 2752/4885TLR9 1518/4885

“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.