SCHEMBL61956

SCHEMBL61956

Cc1cc(Nc2cc(Cl)nc([S+](C)[O-])n2)[nH]n1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.32
PIK3C3 Q8NEB9 2/20 0.32
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
JAK2 O60674 1/20 0.30
PAK4 O96013 1/20 0.30
ABL1 P00519 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30
CSF1R P07333 1/20 0.30
RET P07949 1/20 0.30
IGF1R P08069 1/20 0.30
PDGFRB P09619 1/20 0.30
FGFR1 P11362 1/20 0.30
FLT1 P17948 1/20 0.30
LTK P29376 1/20 0.30
KDR P35968 1/20 0.30
FLT3 P36888 1/20 0.30
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30

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
SCHEMBL30702750 0.79 PAK4 (0.38) GSK3BPIK3C3AURKADAPK3JAK2
SCHEMBL14026511 0.79 PAK4 (0.38) GSK3BPIK3C3AURKADAPK3JAK2
SCHEMBL91111 0.77 GSK3B (0.35) GSK3BPIK3C3AURKADAPK3JAK2
SCHEMBL61333 0.74 KMT2A (0.53) AURKAAURKBPOLBGAASMN1; SMN2
SCHEMBL63682 0.72 AURKA (0.46) GSK3BPIK3C3AURKADAPK3JAK2
SCHEMBL32683559 0.71 LMNA (0.40) SMN1; SMN2
SCHEMBL786647 0.71 LMNA (0.55) GSK3BAURKAABL1LCKFYN
SCHEMBL19796066 0.71 MAPT (0.41) PAK4IGF1RMAPTPOLBSMN1; SMN2
SCHEMBL1123924 0.71
SCHEMBL6661092 0.69 CDK2 (0.46) JAK2PAK4CSF1RJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954277-B1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMA (US) 2017-01-18 EP disclosed
EP-1948193-B1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMA (US) 2015-01-07 EP disclosed
US-8637511-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-28 US disclosed
US-20120142660-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-07 US disclosed
US-8129399-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-06 US disclosed
US-20100310675-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 US disclosed
US-7767672-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-03 US disclosed
US-20090181938-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-07-16 US disclosed
US-7528142-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-05 US disclosed
EP-1948193-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2008-07-30 EP disclosed
US-20070259869-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-08 US disclosed
US-20070249031-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-25 US disclosed
WO-2007056164-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-18 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-20100310675-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS ABL1, PRKDC, MAP3K5 GSK3B 374/4885PIK3C3 91/4885AURKA 66/4885
US-20070259869-A1 Aminopyrimidines useful as kinase inhibitors ABL1, PRKDC, MAP3K5 GSK3B 374/4885PIK3C3 91/4885AURKA 66/4885
US-20120142660-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS ABL1, PRKDC, MAP3K5 GSK3B 374/4885PIK3C3 91/4885AURKA 66/4885
US-20090181938-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS ABL1, PRKDC, MAP3K5 GSK3B 374/4885PIK3C3 91/4885AURKA 66/4885
US-20070249031-A1 Aminopyrimidines useful as kinase inhibitors ABL1, PRKDC, MAP3K5 GSK3B 374/4885PIK3C3 91/4885AURKA 66/4885

“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.