SCHEMBL189862

SCHEMBL189862

COc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.69
POLB P06746 2/20 0.69
PIK3CD O00329 4/20 0.62
PIK3CG P48736 4/20 0.58
PIK3CA P42336 1/20 0.58
PIK3CB P42338 1/20 0.58
TP53 P04637 2/20 0.57
KMT2A Q03164 3/20 0.55
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 1/20 0.55
GFER P55789 1/20 0.55
MEN1 O00255 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
LMNA P02545 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL13452267 0.91 MAPT (0.78) MAPTPOLBPIK3CDPIK3CGPIK3CA
SCHEMBL3151860 0.90 MAPT (0.71) MAPTPOLBPIK3CDPIK3CGPIK3CA
SCHEMBL1791627 0.90 MAPT (0.64) MAPTPOLBPIK3CDPIK3CGPIK3CA
SCHEMBL188285 0.87 PIK3CD (0.81) MAPTPOLBPIK3CDPIK3CGPIK3CA
SCHEMBL188904 0.87 MAPT (0.72) MAPTPOLBPIK3CDPIK3CGPIK3CA
SCHEMBL188837 0.86 MAPT (0.74) MAPTPOLBPIK3CDPIK3CGPIK3CA
SCHEMBL12292207 0.85 MAPT (0.74) MAPTPOLBPIK3CDPIK3CGPIK3CA
SCHEMBL1792393 0.85 MAPT (0.72) MAPTPOLBPIK3CDPIK3CGPIK3CA
SCHEMBL188865 0.83 MAPT (0.84) MAPTPOLBPIK3CDPIK3CGPIK3CA
SCHEMBL189554 0.83 MAPT (0.64) MAPTPOLBPIK3CDPIK3CGPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140128388-A1 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-05-08 US disclosed
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-8541415-B2 Targeting an HIV-1 nef-host cell kinase complex University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2013-09-24 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
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-20110190241-A1 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX UNIVERISTY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2011-08-04 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
EP-2056829-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER Exelixis, Inc. (US) 2009-05-13 EP 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 (5 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 4580/4885POLB 1302/4885PIK3CD 2/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAPT 4580/4885POLB 1302/4885PIK3CD 2/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAPT 4606/4885POLB 1498/4885PIK3CD 2/4885
US-20110190241-A1 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX HCK, DCK, NCK1 MAPT 1585/4885POLB 1376/4885PIK3CD 1256/4885
US-20140128388-A1 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX HCK, DCK, NCK1 MAPT 1549/4885POLB 1437/4885PIK3CD 1219/4885

“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.