SCHEMBL188512

SCHEMBL188512

COc1ccc(OC)c(CNc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
HPGD P15428 1/20 0.60
KDM4E B2RXH2 4/20 0.59
PIK3CG P48736 5/20 0.59
PIK3CD O00329 4/20 0.58
MAPT P10636 5/20 0.58
POLB P06746 3/20 0.54
USP2 O75604 1/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
PIK3CA P42336 1/20 0.51
PIK3CB P42338 1/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL189421 0.89 KMT2A (0.63) ALDH1A1KMT2AMEN1HPGDKDM4E
SCHEMBL188285 0.82 PIK3CD (0.81) ALDH1A1KMT2AMEN1PIK3CGPIK3CD
SCHEMBL189431 0.78 PIK3CD (0.77) ALDH1A1KMT2AMEN1PIK3CGPIK3CD
SCHEMBL189537 0.77 PIK3CG (0.68) ALDH1A1KMT2AMEN1PIK3CGPIK3CD
SCHEMBL2303258 0.76 PIK3CD (0.80) ALDH1A1KMT2AMEN1PIK3CGPIK3CD
SCHEMBL1787657 0.76 KDM4E (0.68) ALDH1A1KMT2AMEN1HPGDKDM4E
SCHEMBL185593 0.76 PIK3CG (0.70) ALDH1A1KMT2AMEN1PIK3CGPIK3CD
SCHEMBL3137612 0.76 MAPT (0.79) ALDH1A1KMT2AMEN1KDM4EPIK3CG
SCHEMBL188602 0.75 PIK3CD (0.74) ALDH1A1KMT2AMEN1PIK3CGPIK3CD
SCHEMBL189208 0.75 MAPT (0.84) ALDH1A1KMT2AMEN1PIK3CGPIK3CD

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 ALDH1A1 4075/4885KMT2A 1063/4885MEN1 1310/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 ALDH1A1 4075/4885KMT2A 1063/4885MEN1 1310/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 ALDH1A1 4089/4885KMT2A 1033/4885MEN1 1096/4885

“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.