SCHEMBL189640

SCHEMBL189640

O=S(=O)(Nc1nc2ccccc2nc1NN1CCCCC1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.60
MAPT P10636 8/20 0.60
ALDH1A1 P00352 7/20 0.60
KMT2A Q03164 6/20 0.60
MEN1 O00255 5/20 0.60
LMNA P02545 5/20 0.60
NPSR1 Q6W5P4 4/20 0.60
HTT P42858 4/20 0.60
POLB P06746 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
GAA P10253 2/20 0.60
HPGD P15428 1/20 0.60
RECQL P46063 1/20 0.60
RXFP1 Q9HBX9 1/20 0.56
HSD17B10 Q99714 1/20 0.49
GFER P55789 1/20 0.48
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
KDM1A O60341 1/20 0.48

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
SCHEMBL190020 0.81 MAPT (0.71) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL1791429 0.76 KDM4E (0.56) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL1791058 0.75 MAPT (1.00) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL2184492 0.74 MAPT (0.75) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL6038589 0.73 KDM4E (0.62) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL6038833 0.73 KDM4E (0.61) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL188766 0.72 KMT2A (0.59) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL1385584 0.72 KDM4E (0.67) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL16284288 0.72 KDM4E (0.78) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL189044 0.72 RXFP1 (1.00) KDM4EMAPTALDH1A1KMT2AMEN1

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 14 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
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 761/4885MAPT 4580/4885ALDH1A1 4075/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 KDM4E 761/4885MAPT 4580/4885ALDH1A1 4075/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 KDM4E 729/4885MAPT 4606/4885ALDH1A1 4089/4885

“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.