SCHEMBL4313640

SCHEMBL4313640

Nc1cn(-c2ccccc2)nc1NC(=O)c1ccc(P(=O)(O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
ADORA3 P0DMS8 12/20 0.47
LMNA P02545 5/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL13985027 0.87 ADORA3 (0.51) HDAC1HDAC2ADORA3LMNAKDM4E
SCHEMBL5135484 0.85 ADORA3 (0.49) HDAC1HDAC2ADORA3LMNAKDM4E
SCHEMBL2210854 0.85 HDAC1 (0.47) HDAC1HDAC2ADORA3KDM4EMAPT
SCHEMBL2210398 0.83 HDAC1 (0.46) HDAC1HDAC2ADORA3LMNAKDM4E
SCHEMBL2441079 0.83 HDAC1 (0.47) HDAC1HDAC2ADORA3LMNAKDM4E
SCHEMBL2436869 0.82 CACNA1B (0.55) HDAC1HDAC2ADORA3LMNAKDM4E
SCHEMBL2436301 0.81 HDAC1 (0.48) HDAC1HDAC2ADORA3LMNAKDM4E
SCHEMBL4552687 0.80 ADORA3 (0.48) HDAC1HDAC2ADORA3LMNAKDM4E
SCHEMBL4453120 0.80 HDAC1 (0.52) HDAC1HDAC2ADORA3
SCHEMBL2435407 0.80 HDAC1 (0.46) HDAC1HDAC2ADORA3LMNAKDM4E

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-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-10-29 US claimed
US-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-10-29 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 (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-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC5, PPM1A, PTEN HDAC1 4/4885HDAC2 8/4885ADORA3 3075/4885

“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.