SCHEMBL951773

SCHEMBL951773

CCOC(=O)c1sc(I)c(C#N)c1-c1ccc(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
KDM4E B2RXH2 3/20 0.53
FNTA P49354 13/20 0.52
FNTB P49356 13/20 0.52
CDC7 O00311 1/20 0.48
DBF4 Q9UBU7 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
MAPK1 P28482 1/20 0.46
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL953048 0.89 MAPT (0.53) MAPTKDM4EFNTAFNTBCDC7
SCHEMBL953058 0.87 L3MBTL1 (0.55) MAPTKDM4EFNTAFNTBCDC7
SCHEMBL953666 0.83 FNTA (0.46) KDM4EFNTAFNTBKMT2A
SCHEMBL953790 0.82 GSK3B (0.44) KDM4EFNTAFNTBCDC7DBF4
SCHEMBL12918455 0.81 MAPT (0.54) MAPTKDM4EFNTAFNTBCDC7
SCHEMBL1550834 0.80 PIK3CA (0.55) MAPTKDM4EFNTAFNTBCDC7
SCHEMBL953621 0.78 CDC7 (0.49) MAPTKDM4EFNTAFNTBCDC7
SCHEMBL954164 0.77 FNTA (0.42) FNTAFNTBMEN1KMT2APOLB
SCHEMBL953619 0.76 MAPT (0.42) MAPTKDM4EFNTAFNTBCDC7
SCHEMBL953588 0.76 FNTA (0.45) MAPTKDM4EFNTAFNTBCDC7

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 33 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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 MAPT 4859/4885KDM4E 2656/4885FNTA 2116/4885
US-20130217689-A1 HETEROARYLS AND USES THEREOF PIK3R3, AKT1S1, PIK3R1 MAPT 4859/4885KDM4E 2656/4885FNTA 2116/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 MAPT 4530/4885KDM4E 2304/4885FNTA 1540/4885
US-20100256172-A1 Heteroaryls and uses thereof PIK3R3, PIK3R1, AKT3 MAPT 4865/4885KDM4E 2434/4885FNTA 1987/4885

“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.