SCHEMBL189722

SCHEMBL189722

O=S(=O)(Nc1nc2ccccc2nc1Nc1cccc(OCc2ccccc2)c1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.57
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
KDM4E B2RXH2 6/20 0.56
HTT P42858 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 3/20 0.56
POLB P06746 2/20 0.56
GAA P10253 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
HPGD P15428 1/20 0.56
RECQL P46063 1/20 0.56
CDC25A P30304 1/20 0.54
CDC25B P30305 1/20 0.54
PIK3CD O00329 2/20 0.53
CTNNB1 P35222 1/20 0.53
PIK3CA P42336 1/20 0.53
PIK3CB P42338 1/20 0.53
PIK3CG P48736 1/20 0.53

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
SCHEMBL189160 0.85 MAPT (0.61) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL189161 0.84 MEN1 (0.72) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL1791384 0.80 MAPT (0.76) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL2184492 0.79 MAPT (0.75) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL2304000 0.79 MEN1 (0.77) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL1790011 0.79 MAPT (0.59) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL1793118 0.78 MEN1 (0.76) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL1794755 0.78 MAPT (0.64) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL14053430 0.78 CDC25A (0.72) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL1790540 0.78 MAPT (0.76) MAPTMEN1KMT2AKDM4EHTT

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 19 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 claimed
US-20120302545-A1 Method of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2012-11-29 US claimed
EP-2056829-B9 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-09-26 EP claimed
EP-2056829-B1 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-01-04 EP claimed
US-20100075947-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2010-03-25 US claimed
EP-2056829-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER Exelixis, Inc. (US) 2009-05-13 EP claimed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 WO claimed
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
EP-2056829-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER Exelixis, Inc. (US) 2009-05-13 EP disclosed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 WO disclosed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 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 (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 4580/4885MEN1 1310/4885KMT2A 1063/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAPT 4580/4885MEN1 1310/4885KMT2A 1063/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAPT 4606/4885MEN1 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.