SCHEMBL16021996

SCHEMBL16021996

CCn1cnc2c(-n3c(-c4ccc(O)cc4O)n[nH]c3=S)cccc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
MAPT P10636 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 1/20 0.49
HSP90AA1 P07900 5/20 0.48
HSP90AB1 P08238 1/20 0.48
ALDH1A1 P00352 8/20 0.45
HPGD P15428 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
STAT3 P40763 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GFER P55789 2/20 0.41
GLA P06280 1/20 0.39
GLO1 Q04760 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ATM Q13315 1/20 0.36

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
SCHEMBL419118 0.86 ALDH1A1 (0.41) KDM4EMAPTL3MBTL1GAAHSP90AA1
SCHEMBL12185616 0.85 ALDH1A1 (0.40) KDM4EMAPTL3MBTL1GAAHSP90AA1
SCHEMBL421083 0.83 HSP90AA1 (0.51) KDM4EMAPTL3MBTL1GAAHSP90AA1
SCHEMBL15026309 0.82 KDM4E (0.47) KDM4EMAPTL3MBTL1GAAHSP90AA1
SCHEMBL15042880 0.79 ALDH1A1 (0.40) KDM4EMAPTL3MBTL1GAAHSP90AA1
SCHEMBL8930478 0.77 HSP90AA1 (0.76) KDM4EMAPTL3MBTL1GAAHSP90AA1
SCHEMBL12637703 0.77 HSP90AA1 (0.40) KDM4EMAPTGAAHSP90AA1HSP90AB1
SCHEMBL8930527 0.76 HSP90AA1 (0.59) KDM4EMAPTL3MBTL1GAAHSP90AA1
SCHEMBL12066695 0.76 HSP90AA1 (0.46) KDM4EMAPTL3MBTL1GAAHSP90AA1
SCHEMBL8930932 0.76 HSP90AA1 (0.73) KDM4EMAPTL3MBTL1GAAHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256680-A1 COMBINATION THERAPY OF HSP90 INHIBITORS WITH BRAF INHIBITORS SYNTA PHARMACEUTICALS CORP. (US) 2014-09-11 US disclosed
US-20140256680-A1 COMBINATION THERAPY OF HSP90 INHIBITORS WITH BRAF INHIBITORS SYNTA PHARMACEUTICALS CORP. (US) 2014-09-11 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-20140256680-A1 COMBINATION THERAPY OF HSP90 INHIBITORS WITH BRAF INHIBITORS BRAF, HSP90AB1, HSP90AA1 KDM4E 3343/4885MAPT 20/4885L3MBTL1 4195/4885

“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.