SCHEMBL423613

SCHEMBL423613

COc1cc(N)c2ncccc2c1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 2/20 0.70
NSD2 O96028 1/20 0.70
G6PD P11413 1/20 0.70
RAD52 P43351 1/20 0.54
SYK P43405 2/20 0.51
HSP90AA1 P07900 3/20 0.47
HSP90AB1 P08238 3/20 0.47
BRD4 O60885 1/20 0.46
PDE5A O76074 1/20 0.43
NPY1R P25929 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
APAF1 O14727 1/20 0.42
TDP2 O95551 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42

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
SCHEMBL10941471 0.88 NSD2 (0.63) CASP6NSD2G6PDRAD52SYK
SCHEMBL7240150 0.87 NSD2 (0.61) CASP6NSD2G6PDRAD52SYK
SCHEMBL10944739 0.86 NSD2 (0.60) CASP6NSD2G6PDRAD52SYK
SCHEMBL8627392 0.85 NSD2 (0.72) CASP6NSD2G6PDRAD52SYK
SCHEMBL10944229 0.84 CASP6 (0.59) CASP6NSD2G6PDRAD52SYK
SCHEMBL2268383 0.84 NSD2 (0.70) CASP6NSD2G6PDRAD52SYK
SCHEMBL10944507 0.83 G6PD (0.58) CASP6NSD2G6PDRAD52SYK
SCHEMBL12192928 0.83 NSD2 (0.68) CASP6NSD2G6PDHSP90AA1HSP90AB1
SCHEMBL2274037 0.83 NSD2 (1.00) CASP6NSD2G6PDRAD52SYK
SCHEMBL2267864 0.83 G6PD (1.00) CASP6NSD2G6PDRAD52SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022070-A1 Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use EMORY UNIVERSITY (US) 2012-01-26 US claimed
WO-2010042500-A2 HEAT SHOCK PROTEIN 90 INHIBITORS, METHODS OF PREPARING SAME, AND METHODS FOR THEIR USE EMORY UNIVERSITY (US) 2010-04-15 WO claimed
US-20120022070-A1 Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use EMORY UNIVERSITY (US) 2012-01-26 US disclosed
US-20120022070-A1 Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use EMORY UNIVERSITY (US) 2012-01-26 US disclosed
US-20120022070-A1 Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use EMORY UNIVERSITY (US) 2012-01-26 US disclosed
WO-2010042500-A2 HEAT SHOCK PROTEIN 90 INHIBITORS, METHODS OF PREPARING SAME, AND METHODS FOR THEIR USE EMORY UNIVERSITY (US) 2010-04-15 WO disclosed
WO-2010042500-A2 HEAT SHOCK PROTEIN 90 INHIBITORS, METHODS OF PREPARING SAME, AND METHODS FOR THEIR USE EMORY UNIVERSITY (US) 2010-04-15 WO disclosed
WO-1997006161-A1 ANTICOCCIDIAL 8-AMINOQUINOLINE DERIVATIVES PFIZER LIMITED (GB) 1997-02-20 WO 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-20120022070-A1 Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use HSP90AB1, HSP90AA1, HSP90AB2P CASP6 1423/4885NSD2 4199/4885G6PD 2610/4885

“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.