SCHEMBL3151468

SCHEMBL3151468

CCCCOc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.76
▸ MAPT P10636 10/20 0.69
▸ TP53 P04637 1/20 0.62
▸ MEN1 O00255 8/20 0.60
▸ KMT2A Q03164 8/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.60
▸ GAA P10253 3/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ LMNA P02545 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ CDC25A P30304 1/20 0.58
▸ CDC25B P30305 1/20 0.58
▸ POLB P06746 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ GFER P55789 1/20 0.52
▸ TTR P02766 1/20 0.52
▸ PIK3CD O00329 1/20 0.52
▸ PIK3CA P42336 1/20 0.52
▸ PIK3CB P42338 1/20 0.52
▸ PIK3CG P48736 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
SCHEMBL12355091 0.90 MAPT (0.63) BACE1MAPTTP53MEN1KMT2A
SCHEMBL12355087 0.90 MAPT (0.63) BACE1MAPTTP53MEN1KMT2A
SCHEMBL1790728 0.88 MAPT (0.67) BACE1MAPTMEN1KMT2ARXFP1
SCHEMBL1788517 0.86 BACE1 (1.00) BACE1MAPTTP53MEN1KMT2A
SCHEMBL3151416 0.86 MAPT (0.76) BACE1MAPTTP53MEN1KMT2A
SCHEMBL1789288 0.85 CDC25A (0.75) BACE1MAPTTP53MEN1KMT2A
SCHEMBL2242215 0.84 MAPT (0.62) BACE1MAPTTP53MEN1KMT2A
SCHEMBL1790743 0.84 MAPT (0.82) BACE1MAPTTP53MEN1KMT2A
SCHEMBL3139309 0.82 MAPT (0.85) BACE1MAPTTP53MEN1KMT2A
SCHEMBL12363010 0.82 MAPT (0.85) BACE1MAPTTP53MEN1KMT2A

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 9 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-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 BACE1 3793/4885MAPT 4580/4885TP53 344/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 BACE1 3793/4885MAPT 4580/4885TP53 344/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 BACE1 3507/4885MAPT 4606/4885TP53 453/4885

“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.

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