SCHEMBL5132693

SCHEMBL5132693

Nc1ncnc2nc(Sc3ccccc3)[nH]c12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.74
TSHR P16473 1/20 0.74
ALDH1A1 P00352 2/20 0.64
NPSR1 Q6W5P4 1/20 0.64
NUDT1 P36639 1/20 0.62
PI4KA P42356 5/20 0.59
PI4K2B Q8TCG2 5/20 0.59
PI4K2A Q9BTU6 5/20 0.59
PI4KB Q9UBF8 5/20 0.59
ERBB2 P04626 1/20 0.58
HSP90AA1 P07900 1/20 0.58
HSP90AB1 P08238 1/20 0.58
APEX1 P27695 1/20 0.53
KDM4E B2RXH2 1/20 0.52
PKM P14618 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL5132695 0.79 LMNA (0.48) LMNATSHRALDH1A1NPSR1NUDT1
SCHEMBL17060218 0.77 NUDT1 (1.00) LMNATSHRALDH1A1NPSR1NUDT1
SCHEMBL9175738 0.74 PI4KA (1.00) LMNAALDH1A1NPSR1NUDT1PI4KA
SCHEMBL18776103 0.74 NUDT1 (0.71) LMNATSHRALDH1A1NPSR1NUDT1
SCHEMBL1861839 0.74 ERBB2 (1.00) LMNATSHRALDH1A1NPSR1NUDT1
SCHEMBL16487462 0.74 HSP90AA1 (0.60) LMNATSHRALDH1A1NPSR1NUDT1
SCHEMBL29634267 0.73 HTT (0.74) LMNATSHRALDH1A1NPSR1NUDT1
SCHEMBL870861 0.71 PI4KA (0.62) LMNAALDH1A1NPSR1NUDT1PI4KA
SCHEMBL843169 0.71 ADORA2A (0.61) LMNATSHRALDH1A1NPSR1NUDT1
SCHEMBL42335 0.71 ADORA2A (0.61) LMNATSHRALDH1A1NPSR1NUDT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1962863-A2 ORALLY ACTIVE PURINE-BASED INHIBITORS OF HEAT SHOCK PROTEIN 90 Conforma Therapeutics Corporation (US) 2008-09-03 EP disclosed
WO-2007075572-A2 ORALLY ACTIVE PURINE-BASED INHIBITORS OF HEAT SHOCK PROTEIN 90 CONFORMA THERAPEUTICS CORPORATION (US) 2007-07-05 WO disclosed
US-20070129334-A1 Orally Active Purine-Based Inhibitors of Heat Shock Protein 90 CONFORMA THERAPEUTICS CORPORATION (US) 2007-06-07 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-20070129334-A1 Orally Active Purine-Based Inhibitors of Heat Shock Protein 90 HSP90AB1, HSP90AA1, HSP90AB2P LMNA 4007/4885TSHR 3978/4885ALDH1A1 2219/4885

“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.