SCHEMBL189392

SCHEMBL189392

CN(C)c1nc2ccccc2nc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.63
RXFP1 Q9HBX9 3/20 0.63
NPSR1 Q6W5P4 2/20 0.63
HSD17B10 Q99714 3/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 5/20 0.54
ALDH1A1 P00352 6/20 0.54
KMT2A Q03164 6/20 0.53
POLB P06746 3/20 0.53
GFER P55789 1/20 0.53
MEN1 O00255 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 2/20 0.50
HPGD P15428 2/20 0.50
ADRB2 P07550 1/20 0.50
GAA P10253 1/20 0.50
USP2 O75604 1/20 0.50
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TDP1 Q9NUW8 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
SCHEMBL189883 0.81 KDM4E (0.56) KDM4ERXFP1NPSR1HSD17B10LMNA
SCHEMBL16284288 0.81 KDM4E (0.78) KDM4ERXFP1NPSR1HSD17B10LMNA
SCHEMBL1791878 0.78 KDM4E (0.51) KDM4ERXFP1NPSR1HSD17B10LMNA
SCHEMBL1385584 0.78 KDM4E (0.67) KDM4ERXFP1NPSR1HSD17B10LMNA
SCHEMBL189044 0.78 RXFP1 (1.00) KDM4ERXFP1NPSR1HSD17B10LMNA
SCHEMBL5475358 0.77 KDM4E (0.72) KDM4ERXFP1NPSR1HSD17B10LMNA
SCHEMBL16282948 0.77 KDM4E (0.61) KDM4ERXFP1NPSR1HSD17B10LMNA
SCHEMBL1792724 0.77 KDM4E (0.57) KDM4ERXFP1NPSR1HSD17B10LMNA
SCHEMBL2184492 0.76 MAPT (0.75) KDM4ERXFP1NPSR1LMNAMAPT
SCHEMBL1792241 0.74 MAPT (0.76) KDM4ERXFP1NPSR1LMNAMAPT

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 15 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
CN-101528231-A Use of PI3K and MEK modulators in the treatment of cancer EXELIXIS INC (US) 2009-09-09 CN 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 761/4885RXFP1 4774/4885NPSR1 4824/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 KDM4E 761/4885RXFP1 4774/4885NPSR1 4824/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 KDM4E 729/4885RXFP1 4805/4885NPSR1 4794/4885

“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.