SCHEMBL983078

SCHEMBL983078

Nc1cccc(-c2cnn(Cc3ccccc3)c2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.71
PIK3CD O00329 1/20 0.58
PIK3CA P42336 1/20 0.58
PIK3CB P42338 1/20 0.58
PI4KA P42356 1/20 0.58
PIK3CG P48736 1/20 0.58
PI4KB Q9UBF8 1/20 0.58
ADORA2A P29274 1/20 0.56
ADORA1 P30542 1/20 0.56
CREBBP Q92793 4/20 0.53
MAOA P21397 1/20 0.49
ALK Q9UM73 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
IKBKE Q14164 1/20 0.47
TBK1 Q9UHD2 1/20 0.47
COMT P21964 1/20 0.46
TEK Q02763 2/20 0.46
KCNH2 Q12809 1/20 0.46
KDR P35968 1/20 0.46

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
SCHEMBL19541847 0.83 L3MBTL1 (0.78) L3MBTL1PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL15344194 0.82 L3MBTL1 (0.71) L3MBTL1PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL31489437 0.82 L3MBTL1 (0.71) L3MBTL1PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL20515406 0.81 L3MBTL1 (0.61) L3MBTL1PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL15607528 0.80 ALK (0.75) PIK3CAALK
SCHEMBL3713180 0.80 L3MBTL1 (0.62) L3MBTL1PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL15340955 0.79 L3MBTL1 (0.66) L3MBTL1PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL25296864 0.78 L3MBTL1 (0.56) L3MBTL1PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL950986 0.77 MAPT (0.67) L3MBTL1PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL31489799 0.77 L3MBTL1 (0.54) L3MBTL1PIK3CDPIK3CAPIK3CBPI4KA

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 L3MBTL1 2257/4885PIK3CD 2048/4885PIK3CA 1878/4885

“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.