SCHEMBL3135247

SCHEMBL3135247

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.70
CDC25A P30304 1/20 0.70
CDC25B P30305 1/20 0.70
BACE1 P56817 1/20 0.69
POLB P06746 2/20 0.69
GFER P55789 1/20 0.69
TP53 P04637 1/20 0.67
ALDH1A1 P00352 2/20 0.66
KDM4E B2RXH2 2/20 0.65
NPSR1 Q6W5P4 1/20 0.65
RXFP1 Q9HBX9 1/20 0.65
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
SMN1; SMN2 Q16637 2/20 0.63
MAPK1 P28482 1/20 0.63
DUSP26 Q9BV47 1/20 0.62
HTT P42858 1/20 0.61
CTNNB1 P35222 1/20 0.61
EGFR P00533 1/20 0.59
LMNA P02545 1/20 0.58

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
SCHEMBL1789288 0.96 CDC25A (0.75) MAPTCDC25ACDC25BBACE1POLB
SCHEMBL1790930 0.94 CDC25A (0.77) MAPTCDC25ACDC25BBACE1POLB
SCHEMBL1792241 0.90 MAPT (0.76) MAPTCDC25ACDC25BPOLBGFER
SCHEMBL2184492 0.90 MAPT (0.75) MAPTCDC25ACDC25BPOLBGFER
SCHEMBL4564217 0.90 BACE1 (0.64) MAPTCDC25ACDC25BBACE1POLB
SCHEMBL1788293 0.90 MEN1 (0.68) MAPTCDC25ACDC25BBACE1POLB
SCHEMBL1790988 0.90 TTR (0.73) MAPTCDC25ACDC25BBACE1POLB
SCHEMBL1789256 0.90 TTR (0.73) MAPTCDC25ACDC25BBACE1POLB
SCHEMBL1793225 0.90 MAPT (0.71) MAPTCDC25ACDC25BBACE1POLB
SCHEMBL14050702 0.90 CDC25A (0.67) MAPTCDC25ACDC25BBACE1POLB

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 MAPT 4580/4885CDC25A 193/4885CDC25B 194/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAPT 4580/4885CDC25A 193/4885CDC25B 194/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAPT 4606/4885CDC25A 153/4885CDC25B 157/4885

“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.