SCHEMBL982028

SCHEMBL982028

Nc1cccc(-c2cccc3[nH]ccc23)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ASH1L Q9NR48 4/20 0.63
PIK3CD O00329 3/20 0.56
PIK3CB P42338 2/20 0.52
CSNK2B P67870 1/20 0.51
CSNK2A1 P68400 1/20 0.51
PIK3CG P48736 1/20 0.51
AURKA O14965 1/20 0.45
MAP4K4 O95819 1/20 0.45
CHEK1 O14757 1/20 0.44
DHFR P00374 1/20 0.44
KIT P10721 1/20 0.43
AHR P35869 1/20 0.43
MAOA P21397 1/20 0.42
PDPK1 O15530 1/20 0.41
PIP4K2A P48426 1/20 0.41
PIP4K2B P78356 1/20 0.41
PIP4K2C Q8TBX8 1/20 0.41
ATR Q13535 1/20 0.41

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
SCHEMBL10945814 0.83 PIK3CD (0.75) ASH1LPIK3CDPIK3CBCSNK2BCSNK2A1
SCHEMBL6321711 0.81 ASH1L (0.60) ASH1LPIK3CDPIK3CBCSNK2BCSNK2A1
SCHEMBL29712113 0.80 PIK3CD (0.70) ASH1LPIK3CDPIK3CBCSNK2BCSNK2A1
SCHEMBL2193011 0.80 PIK3CD (0.70) ASH1LPIK3CDPIK3CBCSNK2BCSNK2A1
SCHEMBL23259083 0.79 ASH1L (0.59) ASH1LPIK3CDPIK3CBCSNK2BCSNK2A1
SCHEMBL6322509 0.79 ASH1L (0.59) ASH1LPIK3CDPIK3CBCSNK2BCSNK2A1
SCHEMBL6321811 0.79 CSNK2B (0.62) ASH1LPIK3CDPIK3CBCSNK2BCSNK2A1
SCHEMBL6322388 0.79 ASH1L (0.59) ASH1LPIK3CDPIK3CBCSNK2BCSNK2A1
SCHEMBL23649189 0.79 ASH1L (0.63) ASH1LAURKAKIT
SCHEMBL29824426 0.79 ASH1L (0.63) ASH1LAURKAKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642788-B2 Activators of executioner procaspases 3, 6 and 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
CN-101965189-A Activators of pro-caspase 3, 6 and 7 UNIV CALIFORNIA 2011-02-02 CN disclosed
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 US disclosed
EP-2237784-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 The Regents of the University of California (US) 2010-10-13 EP disclosed
WO-2009089508-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 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-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 CASP7, CASP3, CASP6 ASH1L 4051/4885PIK3CD 2048/4885PIK3CB 1614/4885

“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.