SCHEMBL189681

SCHEMBL189681

CC(C)(C)OC(=O)N1CCN(c2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
ALDH1A1 P00352 8/20 0.59
KDM4E B2RXH2 5/20 0.59
CASP1 P29466 2/20 0.59
CASP7 P55210 2/20 0.59
HSD17B10 Q99714 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C9 P11712 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
HTT P42858 4/20 0.56
LMNA P02545 2/20 0.56
TP53 P04637 2/20 0.54
HPGD P15428 2/20 0.54
GAA P10253 1/20 0.54
GBA1 P04062 2/20 0.50
TSHR P16473 2/20 0.50

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
SCHEMBL300765 0.86 MAPT (0.59) MAPTSMN1; SMN2ALDH1A1KDM4ECASP1
SCHEMBL15566743 0.81 GPR6 (0.59) GBA1GPR6OPRM1OPRD1OGFRL1
SCHEMBL28518079 0.79 KIT (0.42) ALDH1A1KDM4ECASP1CASP7HSD17B10
SCHEMBL189476 0.79 MAPT (0.84) MAPTSMN1; SMN2ALDH1A1KDM4ECASP1
SCHEMBL5336255 0.78 MCOLN3 (0.62) TDP1MEN1KMT2AGAATGFBR1
SCHEMBL462831 0.78 GBA1 (0.46) MAPTSMN1; SMN2ALDH1A1KDM4ECASP1
SCHEMBL24951551 0.78 GBA1 (0.56) MAPTALDH1A1CYP1A2LMNAGBA1
SCHEMBL30819461 0.78 GBA1 (0.56) MAPTALDH1A1CYP1A2LMNAGBA1
SCHEMBL190020 0.78 MAPT (0.71) MAPTSMN1; SMN2ALDH1A1KDM4ECASP1
SCHEMBL1623122 0.77 STS (0.44) ALDH1A1KDM4ECASP1CASP7HSD17B10

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 MAPT 4580/4885SMN1; SMN2 4624/4885ALDH1A1 4075/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAPT 4580/4885SMN1; SMN2 4624/4885ALDH1A1 4075/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAPT 4606/4885SMN1; SMN2 4676/4885ALDH1A1 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.