SCHEMBL188602

SCHEMBL188602

COc1ccc(OC)c(Nc2nc3cc(C)c(C)cc3nc2NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.74
MAPT P10636 5/20 0.65
POLB P06746 1/20 0.65
PIK3CG P48736 7/20 0.61
PIK3C2B O00750 2/20 0.56
PIK3C2G O75747 2/20 0.56
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 1/20 0.52
NPC1 O15118 1/20 0.51

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
SCHEMBL188285 0.92 PIK3CD (0.81) PIK3CDMAPTPOLBPIK3CGPIK3C2B
SCHEMBL189032 0.91 MAPT (0.73) PIK3CDMAPTPOLBPIK3CGPIK3C2B
SCHEMBL189431 0.88 PIK3CD (0.77) PIK3CDMAPTPOLBPIK3CGKMT2A
SCHEMBL189208 0.87 MAPT (0.84) PIK3CDMAPTPOLBPIK3CGKMT2A
SCHEMBL2303258 0.86 PIK3CD (0.80) PIK3CDMAPTPOLBPIK3CGPIK3C2B
SCHEMBL2304531 0.86 PIK3CD (0.80) PIK3CDMAPTPOLBPIK3CGPIK3C2B
SCHEMBL185593 0.86 PIK3CG (0.70) PIK3CDMAPTPOLBPIK3CGKMT2A
SCHEMBL2303411 0.85 PIK3CD (0.76) PIK3CDMAPTPOLBPIK3CGPIK3C2B
SCHEMBL2307066 0.85 PIK3CD (1.00) PIK3CDMAPTPOLBPIK3CGPIK3C2B
SCHEMBL1790515 0.84 PIK3CD (0.72) PIK3CDMAPTPOLBPIK3CGKMT2A

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 14 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
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
EP-2056829-B9 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-09-26 EP disclosed
EP-2056829-B1 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-01-04 EP 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 PIK3CD 2/4885MAPT 4580/4885POLB 1302/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3CD 2/4885MAPT 4580/4885POLB 1302/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3CD 2/4885MAPT 4606/4885POLB 1498/4885

“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.