SCHEMBL667692

SCHEMBL667692

CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4ccc5ncccc5c4)c3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 12/20 0.49
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
ATM Q13315 3/20 0.41
ATR Q13535 3/20 0.41
GSK3B P49841 2/20 0.41
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MET P08581 1/20 0.40
PRKDC P78527 1/20 0.39
MAP4K1 Q92918 1/20 0.39
BTK Q06187 1/20 0.39
ITK Q08881 1/20 0.39

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
SCHEMBL667742 0.85 MAPK1 (0.70) MAPK1ATMATRGSK3BDYRK1A
SCHEMBL9986182 0.84 MAPK1 (0.54) MAPK1ATMATRGSK3BPRKDC
SCHEMBL10141821 0.83 MAP3K11 (0.49) MAPK1CLK1DYRK1A
SCHEMBL10141749 0.83 MAPK1 (0.61) MAPK1ATMATRPRKDC
SCHEMBL667688 0.82 MAPK1 (0.48) MAPK1ALOX5APFEN1ATMATR
SCHEMBL10141743 0.82 ALOX5AP (0.50) MAPK1ALOX5APFEN1ATMATR
SCHEMBL9985949 0.82 MAPK1 (0.67) MAPK1ATMATRGSK3BPRKDC
SCHEMBL667527 0.81 MAPK1 (0.47) MAPK1ATMATRGSK3BCLK2
SCHEMBL667161 0.81 MAPK1 (0.44) MAPK1ATMATRGSK3BPRKDC
SCHEMBL10141812 0.81 MAPK1 (0.49) MAPK1ALOX5APFEN1ATMATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160009723-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-01-14 US disclosed
US-20160009723-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-01-14 US disclosed
US-20160009723-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-01-14 US disclosed
US-20140288347-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-25 US disclosed
US-20140288347-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-25 US disclosed
US-20140288347-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-25 US disclosed
US-8623869-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-07 US disclosed
US-8623869-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-07 US disclosed
US-8623869-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-07 US disclosed
US-20120046295-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-23 US disclosed
US-20120046295-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-23 US disclosed
US-20120046295-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-23 US 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-20140288347-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 MAPK1 122/4885ALOX5AP 3343/4885FEN1 530/4885
US-20120046295-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 MAPK1 122/4885ALOX5AP 3343/4885FEN1 530/4885
US-20160009723-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 MAPK1 122/4885ALOX5AP 3343/4885FEN1 530/4885

“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.