SCHEMBL4273041

SCHEMBL4273041

Nc1ncc2ncn(CC3([O])CC3(CC(F)(F)F)CC(F)(F)F)c2n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ADRA1A P35348 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
IRAK4 Q9NWZ3 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
SCHEMBL4272738 0.81 CDK1 (0.51) HDAC6HSP90AA1HSP90AB1
SCHEMBL2904804 0.76 KDM4E (0.38) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL4267091 0.75 ADORA2A (0.50) ALDH1A1
SCHEMBL14138147 0.71 HDAC6 (0.46) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL14642669 0.69 CDK1 (0.56) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL3291370 0.69 HDAC6 (0.39) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL2914357 0.68 KDM4E (0.46) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL2914353 0.68 KDM4E (0.46) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL4961034 0.67 HDAC6 (0.45) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL28749029 0.66 KDM4E (0.44) HDAC6KDM4EALDH1A1HPGDADRA1A

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 2 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

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

For each of this compound's patents that has machine-readable text (1 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 1806/4885KDM4E 4056/4885ALDH1A1 2937/4885

“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.