SCHEMBL189812

SCHEMBL189812

Cc1cc(C)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)CN(C)C)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 6/20 0.63
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
MAPT P10636 7/20 0.53
KDM4E B2RXH2 5/20 0.53
POLB P06746 2/20 0.51
GFER P55789 1/20 0.51
TTR P02766 1/20 0.51
PIK3CD O00329 3/20 0.51
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 2/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HPGD P15428 2/20 0.48
GLA P06280 1/20 0.47
MAPK1 P28482 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47

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
SCHEMBL12364316 0.93 PIK3CG (0.66) PIK3CGMEN1KMT2AMAPTKDM4E
SCHEMBL14932840 0.93 PIK3CG (0.67) PIK3CGMEN1KMT2AMAPTKDM4E
SCHEMBL188330 0.89 PIK3CG (0.71) PIK3CGMEN1KMT2AMAPTKDM4E
SCHEMBL189222 0.89 PIK3CG (0.61) PIK3CGMEN1KMT2AMAPTKDM4E
SCHEMBL189772 0.89 PIK3CG (0.61) PIK3CGMEN1KMT2AMAPTKDM4E
SCHEMBL189918 0.89 PIK3CG (0.61) PIK3CGMEN1KMT2AMAPTKDM4E
SCHEMBL189356 0.89 PIK3CG (0.61) PIK3CGMEN1KMT2AMAPTKDM4E
SCHEMBL188455 0.88 PIK3CG (0.70) PIK3CGMEN1KMT2AMAPTKDM4E
SCHEMBL16091811 0.88 PIK3CG (0.62) PIK3CGMEN1KMT2AMAPTKDM4E
SCHEMBL12387651 0.88 PIK3CG (0.60) PIK3CGMEN1KMT2AMAPTKDM4E

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 5/4885MEN1 1310/4885KMT2A 1063/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3CG 5/4885MEN1 1310/4885KMT2A 1063/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3CG 6/4885MEN1 1096/4885KMT2A 1033/4885

“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.