SCHEMBL190236

SCHEMBL190236

O=S(=O)(Nc1nc2ccccc2nc1N1CCOCC1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.71
TSHR P16473 2/20 0.71
HPGD P15428 2/20 0.71
PPARG P37231 1/20 0.71
NCOA2 Q15596 1/20 0.71
NCOA1 Q15788 1/20 0.71
MAPT P10636 10/20 0.67
MEN1 O00255 7/20 0.67
KMT2A Q03164 7/20 0.67
HTT P42858 6/20 0.67
LMNA P02545 5/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
PIK3CA P42336 1/20 0.63
ALDH1A1 P00352 9/20 0.58
CASP1 P29466 3/20 0.58
HSD17B10 Q99714 3/20 0.58
CASP7 P55210 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 2/20 0.58

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
SCHEMBL189298 0.90 KDM4E (0.72) KDM4ETSHRHPGDPPARGNCOA2
SCHEMBL30514599 0.90 KDM4E (0.72) KDM4ETSHRHPGDPPARGNCOA2
SCHEMBL189476 0.88 MAPT (0.84) KDM4ETSHRHPGDPPARGNCOA2
SCHEMBL190020 0.87 MAPT (0.71) KDM4ETSHRHPGDPPARGNCOA2
SCHEMBL189642 0.85 ALDH1A1 (0.83) KDM4ETSHRHPGDPPARGNCOA2
SCHEMBL188615 0.85 MAPT (0.64) KDM4ETSHRHPGDPPARGNCOA2
SCHEMBL24074827 0.83 KDM4E (1.00) KDM4ETSHRHPGDPPARGNCOA2
SCHEMBL30514598 0.83 KDM4E (1.00) KDM4ETSHRHPGDPPARGNCOA2
SCHEMBL189469 0.82 MAPT (0.75) KDM4EHPGDMAPTMEN1KMT2A
SCHEMBL190297 0.79 MAPT (0.57) KDM4ETSHRHPGDPPARGNCOA2

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 16 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-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 KDM4E 761/4885TSHR 2801/4885HPGD 2378/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 KDM4E 761/4885TSHR 2801/4885HPGD 2378/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 KDM4E 729/4885TSHR 2458/4885HPGD 2180/4885

“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.