SCHEMBL4270191

SCHEMBL4270191

Nc1ncc2ncn(CC3(OCO[PH](=O)OCOC4(Cn5cnc6cnc(N)nc65)CC4)CC3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ADRA1A P35348 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HDAC6 Q9UBN7 2/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38

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
SCHEMBL4275814 0.84 KDM4E (0.43) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL4266236 0.82 CCNE1 (0.34) ALDH1A1HDAC6HSP90AA1HSP90AB1
SCHEMBL3288487 0.81 HSP90AB1 (0.43) HDAC6HSP90AA1HSP90AB1
SCHEMBL3290197 0.81 KDM4E (0.41) KDM4EALDH1A1HPGDADRA1AHSD17B10
Besifovir SCHEMBL2908200 0.81 HDAC6 (0.44) KDM4EALDH1A1HPGDADRA1AHSD17B10
Besifovir SCHEMBL29355160 0.81 HDAC6 (0.44) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL4279987 0.80 HSP90AB1 (0.40) HSP90AA1HSP90AB1
SCHEMBL2911115 0.78 HSP90AB1 (0.43) HSP90AA1HSP90AB1
SCHEMBL4274883 0.78 CDK1 (0.35) HSP90AA1HSP90AB1
SCHEMBL2911689 0.78 CDK1 (0.38) HSP90AA1HSP90AB1

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 4 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 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-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 (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 KDM4E 4056/4885ALDH1A1 2937/4885HPGD 2107/4885
US-20040063668-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP KDM4E 4056/4885ALDH1A1 2937/4885HPGD 2107/4885

“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.