SCHEMBL189469

SCHEMBL189469

O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc(N2CCOCC2)cc1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.75
MEN1 O00255 10/20 0.75
KMT2A Q03164 10/20 0.75
LMNA P02545 5/20 0.75
HTT P42858 4/20 0.75
KDM4E B2RXH2 4/20 0.75
GAA P10253 3/20 0.75
SMN1; SMN2 Q16637 5/20 0.68
RECQL P46063 2/20 0.68
POLB P06746 2/20 0.58
GFER P55789 1/20 0.58
MAPK1 P28482 2/20 0.56
ALDH1A1 P00352 3/20 0.55
HPGD P15428 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KDM1A O60341 1/20 0.55
CTNNB1 P35222 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
USP2 O75604 1/20 0.52

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
SCHEMBL1789203 0.87 HSD17B10 (0.69) MAPTMEN1KMT2ALMNAHTT
SCHEMBL26458895 0.86 MAPT (1.00) MAPTMEN1KMT2ALMNAHTT
SCHEMBL190236 0.82 KDM4E (0.71) MAPTMEN1KMT2ALMNAHTT
SCHEMBL1792241 0.81 MAPT (0.76) MAPTMEN1KMT2ALMNAHTT
SCHEMBL2184492 0.81 MAPT (0.75) MAPTMEN1KMT2ALMNAHTT
SCHEMBL1791879 0.81 KMT2A (0.81) MAPTMEN1KMT2ALMNAHTT
SCHEMBL1791746 0.80 MAPT (0.63) MAPTMEN1KMT2ALMNAHTT
SCHEMBL1791848 0.79 MAPT (0.62) MAPTMEN1KMT2ALMNAHTT
SCHEMBL30514601 0.79 MAPT (0.62) MAPTMEN1KMT2ALMNAHTT
SCHEMBL27758003 0.79 PIK3CG (0.61) MAPTMEN1KMT2ALMNAHTT

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-20120302545-A1 Method of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2012-11-29 US disclosed
EP-2056829-B9 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-09-26 EP disclosed
EP-2056829-B1 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-01-04 EP 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 MAPT 4580/4885MEN1 1310/4885KMT2A 1063/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAPT 4580/4885MEN1 1310/4885KMT2A 1063/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAPT 4606/4885MEN1 1096/4885KMT2A 1033/4885

“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.