SCHEMBL189705

SCHEMBL189705

CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCCCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 1.00
KMT2A Q03164 8/20 1.00
MEN1 O00255 7/20 1.00
ALDH1A1 P00352 4/20 1.00
RXFP1 Q9HBX9 2/20 0.64
KDM4E B2RXH2 4/20 0.63
GFER P55789 2/20 0.61
POLB P06746 2/20 0.61
GAA P10253 4/20 0.61
TTR P02766 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.60
HPGD P15428 2/20 0.60
NPC1 O15118 1/20 0.59
LMNA P02545 2/20 0.59
EGFR P00533 1/20 0.59
GLA P06280 1/20 0.59
MAPK1 P28482 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ATIC P31939 1/20 0.55
HTT P42858 1/20 0.55

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
SCHEMBL189642 0.90 ALDH1A1 (0.83) MAPTKMT2AMEN1ALDH1A1RXFP1
SCHEMBL15457559 0.86 ALDH1A1 (0.76) MAPTKMT2AMEN1ALDH1A1RXFP1
SCHEMBL188898 0.84 MAPT (0.72) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL190020 0.84 MAPT (0.71) MAPTKMT2AMEN1ALDH1A1RXFP1
SCHEMBL14052923 0.80 ALDH1A1 (0.68) MAPTKMT2AMEN1ALDH1A1RXFP1
SCHEMBL16091771 0.79 RXFP1 (0.76) MAPTKMT2AMEN1ALDH1A1RXFP1
SCHEMBL10044528 0.78 RXFP1 (1.00) MAPTKMT2AMEN1ALDH1A1RXFP1
SCHEMBL14052839 0.78 ALDH1A1 (0.65) MAPTKMT2AMEN1ALDH1A1RXFP1
SCHEMBL1791909 0.78 MAPT (1.00) MAPTKMT2AMEN1ALDH1A1RXFP1
SCHEMBL1790362 0.77 MAPT (0.70) MAPTKMT2AMEN1ALDH1A1RXFP1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 WO 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 4580/4885KMT2A 1063/4885MEN1 1310/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAPT 4580/4885KMT2A 1063/4885MEN1 1310/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAPT 4606/4885KMT2A 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.