SCHEMBL5131165

SCHEMBL5131165

Nc1ncnc2[nH]c(Sc3cc(C(F)(F)F)ccc3I)nc12

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.38
HSP90AA1 P07900 3/20 0.38
HSP90B1 P14625 1/20 0.38
ERBB2 P04626 9/20 0.36
MAP4K4 O95819 1/20 0.35
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CLK1 P49759 1/20 0.31
NSD2 O96028 1/20 0.31
NSD3 Q9BZ95 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL16486831 0.86 HSP90AA1 (0.38) HSP90AB1HSP90AA1HSP90B1ERBB2MAP4K4
SCHEMBL5038825 0.83 ERBB2 (0.41) HSP90AB1HSP90AA1ERBB2LMNA
SCHEMBL3466463 0.81 LMNA (0.46) MAP4K4LMNATSHRCLK1NSD2
SCHEMBL4339904 0.79 ERBB2 (0.52) HSP90AB1HSP90AA1ERBB2MAP4K4
SCHEMBL16487238 0.79 LMNA (0.37) HSP90AB1HSP90AA1HSP90B1ERBB2MAP4K4
SCHEMBL1669147 0.78 ERBB2 (0.39) HSP90AB1HSP90AA1ERBB2MAP4K4LMNA
SCHEMBL16486997 0.75 LMNA (0.43) HSP90AB1HSP90AA1HSP90B1ERBB2MAP4K4
SCHEMBL11980452 0.74 HSP90AB1 (0.38) HSP90AB1HSP90AA1HSP90B1ERBB2LMNA
SCHEMBL3745515 0.74 HSP90AB1 (0.38) HSP90AB1HSP90AA1HSP90B1ERBB2LMNA
SCHEMBL11980438 0.74 HSP90AA1 (0.36) HSP90AB1HSP90AA1HSP90B1ERBB2LMNA

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 HSP90AB1 1/4885HSP90AA1 2/4885HSP90B1 4/4885

“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.