SCHEMBL3132340

SCHEMBL3132340

COc1cccc(Nc2nc3cc(OC)ccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.87
TP53 P04637 1/20 0.65
CDC25A P30304 1/20 0.64
CDC25B P30305 1/20 0.64
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
PIK3CD O00329 3/20 0.60
PIK3CG P48736 3/20 0.60
PIK3CA P42336 2/20 0.60
PIK3CB P42338 2/20 0.60
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 1/20 0.58
TNF P01375 1/20 0.58
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
NOD2 Q9HC29 1/20 0.58
NOD1 Q9Y239 1/20 0.58
BACE1 P56817 1/20 0.51
PRKDC P78527 1/20 0.49

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
SCHEMBL2305041 0.94 MAPT (0.83) MAPTTP53CDC25ACDC25BMEN1
SCHEMBL1792774 0.93 MAPT (1.00) MAPTTP53CDC25ACDC25BMEN1
SCHEMBL1790029 0.91 MAPT (0.73) MAPTTP53CDC25ACDC25BMEN1
SCHEMBL1789070 0.90 MAPT (0.71) MAPTTP53CDC25ACDC25BMEN1
SCHEMBL2304000 0.88 MEN1 (0.77) MAPTTP53CDC25ACDC25BMEN1
SCHEMBL189609 0.85 PIK3CD (0.81) MAPTTP53CDC25ACDC25BMEN1
SCHEMBL189161 0.85 MEN1 (0.72) MAPTTP53CDC25ACDC25BMEN1
SCHEMBL14050587 0.84 MAPT (0.69) MAPTTP53CDC25ACDC25BMEN1
SCHEMBL1791487 0.84 MAPT (0.75) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL2302958 0.84 PIK3CG (0.83) MAPTTP53CDC25ACDC25BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140100215-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2014-04-10 US disclosed
US-8642584-B2 Method of using PI3K and MEK modulators EXELIXIS, INC. (US) 2014-02-04 US disclosed
US-8642584-B2 Method of using PI3K and MEK modulators EXELIXIS, INC. (US) 2014-02-04 US disclosed
US-8642584-B2 Method of using PI3K and MEK modulators EXELIXIS, INC. (US) 2014-02-04 US disclosed
US-20120302545-A1 Method of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2012-11-29 US disclosed
US-20120302545-A1 Method of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2012-11-29 US disclosed
US-20100075947-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2010-03-25 US disclosed
US-20100075947-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2010-03-25 US disclosed
US-20100075947-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2010-03-25 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 (3 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-20100075947-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAPT 4580/4885TP53 344/4885CDC25A 193/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAPT 4580/4885TP53 344/4885CDC25A 193/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAPT 4606/4885TP53 453/4885CDC25A 153/4885

“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.