SCHEMBL953790

SCHEMBL953790

N#Cc1c(I)sc(C(N)=O)c1-c1ccc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.44
GSK3A P49840 1/20 0.44
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
CDC7 O00311 2/20 0.42
CCNE1 P24864 2/20 0.42
CDK2 P24941 2/20 0.42
DBF4 Q9UBU7 2/20 0.42
PIK3CA P42336 2/20 0.42
BRAF P15056 1/20 0.41
CCNT1 O60563 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
CDK9 P50750 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GABRA1 P14867 3/20 0.38
GABRG2 P18507 3/20 0.38

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
SCHEMBL953666 0.89 FNTA (0.46) GSK3BGSK3ADYRK1ACLK4PIK3CA
SCHEMBL953956 0.88 GSK3B (0.44) GSK3BGSK3ADYRK1ACLK4CDC7
SCHEMBL15744122 0.85 GSK3B (0.47) GSK3BGSK3ADYRK1ACLK4CDC7
SCHEMBL13256754 0.85 GSK3B (0.44) GSK3BGSK3ADYRK1ACLK4CDC7
SCHEMBL954164 0.82 FNTA (0.42) GSK3BGSK3ADYRK1ACLK4FNTA
SCHEMBL951773 0.82 MAPT (0.53) CDC7DBF4KDM4EALDH1A1FNTA
SCHEMBL1551828 0.81 GRIA2 (0.44) GSK3BGSK3ADYRK1ACLK4CDC7
SCHEMBL12947578 0.79 CDC7 (0.55) GSK3BGSK3ADYRK1ACLK4CDC7
SCHEMBL7998235 0.78 PIK3CA (0.53) GSK3BGSK3ADYRK1ACLK4CDC7
SCHEMBL13574363 0.78 GSK3B (0.36) GSK3BGSK3ADYRK1ACLK4PIK3CA

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-8796314-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-8796314-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-8796314-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
EP-2313399-B1 THIOPHENE OR THIAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARM INC (US) 2014-05-28 EP disclosed
US-20130217689-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-22 US disclosed
US-20130217689-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-22 US disclosed
US-20130217689-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-22 US disclosed
US-20100256172-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
US-20100256172-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
US-20100256172-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed
US-20100075951-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-03-25 US disclosed
US-20100075951-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-03-25 US disclosed
US-20100075951-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-03-25 US disclosed
WO-2009154741-A1 THIOPHENE OR THIAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-23 WO disclosed
WO-2009154741-A1 THIOPHENE OR THIAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-23 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-20100075951-A1 Heteroaryls and uses thereof PIK3R3, AKT1S1, PIK3R1 GSK3B 31/4885GSK3A 47/4885DYRK1A 510/4885
US-20130217689-A1 HETEROARYLS AND USES THEREOF PIK3R3, AKT1S1, PIK3R1 GSK3B 31/4885GSK3A 47/4885DYRK1A 510/4885
US-20100256172-A1 Heteroaryls and uses thereof PIK3R3, PIK3R1, AKT3 GSK3B 23/4885GSK3A 26/4885DYRK1A 1006/4885

“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.