SCHEMBL3142833

SCHEMBL3142833

COc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.81
KDM4E B2RXH2 6/20 0.76
MEN1 O00255 7/20 0.76
KMT2A Q03164 7/20 0.76
GAA P10253 5/20 0.76
POLB P06746 2/20 0.76
HPGD P15428 2/20 0.76
LMNA P02545 2/20 0.76
SMN1; SMN2 Q16637 2/20 0.76
GLA P06280 1/20 0.76
MAPK1 P28482 1/20 0.76
GFER P55789 1/20 0.70
TTR P02766 1/20 0.69
ALDH1A1 P00352 2/20 0.68
EGFR P00533 1/20 0.67
USP2 O75604 1/20 0.67
PKM P14618 1/20 0.67
APAF1 O14727 1/20 0.67
CASP6 P55212 1/20 0.67
TDP1 Q9NUW8 1/20 0.67

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
SCHEMBL188940 0.92 MAPT (0.84) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL1793447 0.90 MAPT (1.00) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL2304000 0.88 MEN1 (0.77) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL189161 0.87 MEN1 (0.72) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL1789236 0.87 MAPT (1.00) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL1791713 0.87 MAPT (0.81) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL1793372 0.86 MAPT (0.78) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL2302958 0.86 PIK3CG (0.83) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL1791872 0.86 MAPT (1.00) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL1791909 0.86 MAPT (1.00) MAPTKDM4EMEN1KMT2AGAA

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 7 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 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 MAPT 4580/4885KDM4E 761/4885MEN1 1310/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAPT 4580/4885KDM4E 761/4885MEN1 1310/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAPT 4606/4885KDM4E 729/4885MEN1 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.