SCHEMBL953666

SCHEMBL953666

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FNTA P49354 11/20 0.46
FNTB P49356 11/20 0.46
KMT2A Q03164 1/20 0.46
PIK3CA P42336 1/20 0.41
GSK3B P49841 2/20 0.40
GSK3A P49840 1/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SRD5A2 P31213 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
MET P08581 1/20 0.37
KDR P35968 1/20 0.37
BCKDK O14874 1/20 0.37
MCL1 Q07820 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL953790 0.89 GSK3B (0.44) FNTAFNTBKMT2APIK3CAGSK3B
SCHEMBL953815 0.87 FNTA (0.44) FNTAFNTBKMT2APIK3CAGSK3B
SCHEMBL951773 0.83 MAPT (0.53) FNTAFNTBKMT2AKDM4E
SCHEMBL954164 0.81 FNTA (0.42) FNTAFNTBKMT2AGSK3BGSK3A
SCHEMBL17244454 0.79 PIK3CA (0.59) FNTAFNTBKMT2APIK3CA
SCHEMBL12918461 0.78 SRD5A2 (0.39) KMT2AKDM4ESRD5A2MRGPRX4BCKDK
SCHEMBL1551282 0.76 PIK3CA (0.74) PIK3CAKDM4E
SCHEMBL13574363 0.76 GSK3B (0.36) PIK3CAGSK3BGSK3ADYRK1ACLK4
SCHEMBL953956 0.76 GSK3B (0.44) KMT2APIK3CAGSK3BGSK3ADYRK1A
SCHEMBL957416 0.75 FNTA (0.39) FNTAFNTBKMT2APIK3CAGSK3B

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 19 patents. 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-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-8440664-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-20120202812-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-08-09 US disclosed
US-8183240-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-05-22 US disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP disclosed
EP-2313399-A1 THIOPHENE OR THIAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-04-27 EP disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 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
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 (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-20100075951-A1 Heteroaryls and uses thereof PIK3R3, AKT1S1, PIK3R1 FNTA 2116/4885FNTB 3061/4885KMT2A 2712/4885
US-20130217689-A1 HETEROARYLS AND USES THEREOF PIK3R3, AKT1S1, PIK3R1 FNTA 2116/4885FNTB 3061/4885KMT2A 2712/4885
US-20120202812-A1 HETEROARYLS AND USES THEREOF PIK3R3, AKT1S1, PIK3R1 FNTA 2116/4885FNTB 3061/4885KMT2A 2712/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 FNTA 1540/4885FNTB 2738/4885KMT2A 2459/4885
US-20100256172-A1 Heteroaryls and uses thereof PIK3R3, PIK3R1, AKT3 FNTA 1987/4885FNTB 2772/4885KMT2A 2834/4885

“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.