SCHEMBL1551828

SCHEMBL1551828

CS(=O)(=O)c1sc(C(N)=O)c(-c2ccc(Cl)cc2Cl)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.44
GRIA4 P48058 1/20 0.44
GSK3B P49841 2/20 0.44
GSK3A P49840 1/20 0.44
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
CDC7 O00311 2/20 0.39
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
DBF4 Q9UBU7 2/20 0.39
PIK3CA P42336 1/20 0.39
KDM4E B2RXH2 3/20 0.39
BRAF P15056 1/20 0.38
GABRA1 P14867 3/20 0.38
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRB2 P47870 2/20 0.38
CCNT1 O60563 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK1A1 P48729 1/20 0.37

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
SCHEMBL15744122 0.83 GSK3B (0.47) GSK3BGSK3ADYRK1ACLK4CDC7
SCHEMBL13256754 0.81 GSK3B (0.44) GSK3BGSK3ADYRK1ACLK4CDC7
SCHEMBL953956 0.81 GSK3B (0.44) GSK3BGSK3ADYRK1ACLK4CDC7
SCHEMBL953790 0.81 GSK3B (0.44) GSK3BGSK3ADYRK1ACLK4CDC7
SCHEMBL7998235 0.76 PIK3CA (0.53) GRIA2GRIA4GSK3BGSK3ADYRK1A
SCHEMBL12947578 0.76 CDC7 (0.55) GSK3BGSK3ADYRK1ACLK4CDC7
SCHEMBL1551287 0.73 PIK3CA (0.74) GRIA2GRIA4PIK3CAHPGDSMN1; SMN2
SCHEMBL12947611 0.72 CDC7 (0.44) GSK3BGSK3ADYRK1ACLK4CDC7
SCHEMBL13105879 0.72 GSK3B (0.42) GSK3BGSK3ADYRK1ACLK4CDC7
SCHEMBL10651866 0.72 KDM4E (0.47) GSK3BGSK3ADYRK1ACLK4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250160-B1 THIOPHENES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE (PI3K) INHIBITORS MILLENNIUM PHARM INC (US) 2015-11-11 EP disclosed
US-9029411-B2 Thiophenes and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed
US-9029411-B2 Thiophenes and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed
US-9029411-B2 Thiophenes and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-05-12 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-8440664-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-8440664-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
EP-2250160-A1 THIOPHENES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE (PI3K) INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2010-11-17 EP 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
US-20090325925-A1 Thiophenes and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-31 US disclosed
US-20090325925-A1 Thiophenes and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-31 US disclosed
US-20090325925-A1 Thiophenes and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-31 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-2009094224-A1 THIOPHENES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE (PI3K) INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-30 WO disclosed
WO-2009094224-A1 THIOPHENES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE (PI3K) INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-30 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 GRIA2 2729/4885GRIA4 4190/4885GSK3B 31/4885
US-20130217689-A1 HETEROARYLS AND USES THEREOF PIK3R3, AKT1S1, PIK3R1 GRIA2 2729/4885GRIA4 4190/4885GSK3B 31/4885
US-20090325925-A1 Thiophenes and uses thereof PIK3CA, JAK2, MTOR GRIA2 2570/4885GRIA4 2350/4885GSK3B 373/4885

“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.