SCHEMBL189945

SCHEMBL189945

COc1ccc(OC)c(Nc2nccnc2NS(=O)(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3C2B O00750 2/20 0.66
PIK3C2G O75747 2/20 0.66
MAPT P10636 4/20 0.62
LMNA P02545 4/20 0.60
PIK3CD O00329 3/20 0.56
TSHR P16473 3/20 0.55
HTT P42858 2/20 0.55
KMT2A Q03164 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 3/20 0.52
JAK2 O60674 1/20 0.52
MEN1 O00255 1/20 0.51
MAPK1 P28482 1/20 0.51
TP53 P04637 2/20 0.49
HPGD P15428 1/20 0.48
TNNI3K Q59H18 1/20 0.47

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
SCHEMBL188618 0.84 MAPT (0.75) MAPTLMNAPIK3CDKMT2AALDH1A1
Methylamine SCHEMBL22399246 0.81 LMNA (0.80) MAPTLMNATSHRHTTKMT2A
SCHEMBL189431 0.76 PIK3CD (0.77) MAPTPIK3CDKMT2AALDH1A1MEN1
SCHEMBL12363833 0.75 MAPT (0.83) MAPTPIK3CDKMT2AALDH1A1MEN1
SCHEMBL188285 0.74 PIK3CD (0.81) PIK3C2BPIK3C2GMAPTPIK3CDKMT2A
SCHEMBL189208 0.74 MAPT (0.84) MAPTPIK3CDKMT2AALDH1A1MEN1
SCHEMBL2303227 0.74 PIK3CD (0.75) PIK3C2BPIK3C2GMAPTPIK3CDTSHR
SCHEMBL2304093 0.73 PIK3CD (0.72) MAPTPIK3CDKMT2AALDH1A1MEN1
SCHEMBL2304139 0.73 PIK3CG (0.73) MAPTPIK3CDKMT2AALDH1A1MEN1
SCHEMBL1790515 0.73 PIK3CD (0.72) MAPTPIK3CDKMT2AALDH1A1MEN1

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 PIK3C2B 12/4885PIK3C2G 74/4885MAPT 4580/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3C2B 12/4885PIK3C2G 74/4885MAPT 4580/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3C2B 18/4885PIK3C2G 74/4885MAPT 4606/4885

“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.