SCHEMBL5044947

SCHEMBL5044947

COc1cc(Sc2nc3c(N)ncnc3[nH]2)c(I)cc1I

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 11/20 0.37
HSP90AB1 P08238 7/20 0.37
HSP90AA1 P07900 5/20 0.37
P2RX3 P56373 3/20 0.35
P2RX2 Q9UBL9 3/20 0.35
ENPP1 P22413 1/20 0.34
PDE5A O76074 1/20 0.34

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
SCHEMBL3124057 0.83 HSP90AA1 (0.38) ERBB2HSP90AB1HSP90AA1ENPP1PDE5A
SCHEMBL4339904 0.82 ERBB2 (0.52) ERBB2HSP90AB1HSP90AA1
SCHEMBL3126835 0.81 HSP90AA1 (0.44) ERBB2HSP90AB1HSP90AA1P2RX3P2RX2
SCHEMBL3121682 0.79 HSP90AA1 (0.36) ERBB2HSP90AB1HSP90AA1P2RX3P2RX2
SCHEMBL1669147 0.79 ERBB2 (0.39) ERBB2HSP90AB1HSP90AA1
SCHEMBL1966212 0.79 ERBB2 (0.53) ERBB2HSP90AB1HSP90AA1
SCHEMBL3127628 0.79 ERBB2 (0.41) ERBB2HSP90AB1HSP90AA1ENPP1
SCHEMBL3111577 0.79 HSP90B1 (0.50) ERBB2HSP90AB1HSP90AA1
SCHEMBL3128953 0.78 ERBB2 (0.40) ERBB2HSP90AB1HSP90AA1ENPP1
SCHEMBL3121816 0.78 HSP90AA1 (0.51) ERBB2HSP90AB1HSP90AA1PDE5A

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 ERBB2 1609/4885HSP90AB1 1/4885HSP90AA1 2/4885

“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.