SCHEMBL189527

SCHEMBL189527

COc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)CN(C)C)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.73
MAPT P10636 5/20 0.62
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
PIK3CD O00329 3/20 0.56
PIK3CA P42336 1/20 0.56
PIK3CB P42338 1/20 0.56
PRKDC P78527 1/20 0.56
PIK3C3 Q8NEB9 1/20 0.56
KDR P35968 2/20 0.54
ATM Q13315 1/20 0.53
POLB P06746 1/20 0.52
GFER P55789 1/20 0.52

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
SCHEMBL188330 0.93 PIK3CG (0.71) PIK3CGMAPTMEN1KMT2AALDH1A1
SCHEMBL188486 0.93 PIK3CG (0.73) PIK3CGMAPTMEN1KMT2AALDH1A1
SCHEMBL188455 0.92 PIK3CG (0.70) PIK3CGMAPTMEN1KMT2AALDH1A1
SCHEMBL12364316 0.92 PIK3CG (0.66) PIK3CGMAPTMEN1KMT2AALDH1A1
SCHEMBL16091812 0.90 PIK3CG (0.67) PIK3CGMAPTMEN1KMT2AALDH1A1
SCHEMBL14932840 0.90 PIK3CG (0.67) PIK3CGMAPTMEN1KMT2AALDH1A1
SCHEMBL189772 0.89 PIK3CG (0.61) PIK3CGMAPTMEN1KMT2AALDH1A1
SCHEMBL189918 0.89 PIK3CG (0.61) PIK3CGMAPTMEN1KMT2APIK3CD
SCHEMBL188867 0.89 PIK3CG (0.66) PIK3CGMAPTMEN1KMT2AALDH1A1
SCHEMBL189293 0.89 PIK3CG (0.75) PIK3CGMAPTMEN1KMT2APIK3CD

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-20120302545-A1 Method of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2012-11-29 US disclosed
EP-2056829-B9 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-09-26 EP disclosed
EP-2056829-B1 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-01-04 EP 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 PIK3CG 5/4885MAPT 4580/4885MEN1 1310/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3CG 5/4885MAPT 4580/4885MEN1 1310/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3CG 6/4885MAPT 4606/4885MEN1 1096/4885

“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.