SCHEMBL13529762

SCHEMBL13529762

Nc1nc(F)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](C(=O)O)O1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 5/20 0.60
▸ LMNA P02545 2/20 0.51
▸ ADORA3 P0DMS8 2/20 0.51
▸ PNP P00491 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ PDE4D Q08499 1/20 0.51
▸ PDE3A Q14432 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ ADORA2A P29274 1/20 0.51
▸ ADORA2B P29275 1/20 0.51
▸ ADORA1 P30542 1/20 0.51
▸ NT5E P21589 3/20 0.50
▸ HIF1A Q16665 2/20 0.50
▸ CA5A P35218 1/20 0.48
▸ DNMT1 P26358 1/20 0.46
▸ DNMT3B Q9UBC3 1/20 0.46
▸ TMEM97 Q5BJF2 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL12746571 0.87 PDE4D (0.68) LMNAADORA3PNPTP53HTT
SCHEMBL16178424 0.84 AHCY (0.63) AHCYLMNAADORA3PNPTP53
SCHEMBL23897428 0.84 AHCY (0.63) AHCYLMNAADORA3PNPTP53
SCHEMBL16178422 0.84 AHCY (0.63) AHCYLMNAADORA3PNPTP53
SCHEMBL7619845 0.83 AHCY (0.59) AHCYLMNAADORA3PNPTP53
SCHEMBL27765125 0.83 AHCY (0.64) AHCYADORA3ADORA2AADORA2BHIF1A
SCHEMBL5790133 0.81 LMNA (0.76) AHCYLMNAPNPTP53HTT
SCHEMBL15623873 0.81 LMNA (0.76) AHCYLMNAPNPTP53HTT
SCHEMBL1470361 0.81 LMNA (0.76) AHCYLMNAPNPTP53HTT
SCHEMBL976990 0.81 LMNA (0.76) AHCYLMNAPNPTP53HTT

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-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 — — US disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 — — US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 — — US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 — — 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-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN AHCY 4439/4885LMNA 2680/4885ADORA3 2167/4885

“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.

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