SCHEMBL4004296

SCHEMBL4004296

O=C(Nc1cccc(-c2ccnc(Nc3cccc(O)c3)c2)c1)c1ccco1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.72
MAPK10 P53779 1/20 0.72
ALDH1A1 P00352 8/20 0.55
KDM4E B2RXH2 7/20 0.55
MAPT P10636 5/20 0.55
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
HTT P42858 2/20 0.55
MAPK1 P28482 2/20 0.55
JAK2 O60674 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
NPSR1 Q6W5P4 2/20 0.54
TSHR P16473 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
CDC25A P30304 1/20 0.53
DUSP3 P51452 1/20 0.53
USP2 O75604 1/20 0.52

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
SCHEMBL8349353 0.88 MAPK8 (0.71) MAPK8MAPK10ALDH1A1KDM4EMAPT
SCHEMBL3996393 0.85 NPC1 (0.70) MAPK8MAPK10ALDH1A1KDM4EMAPT
SCHEMBL3999434 0.85 MAPK8 (0.66) MAPK8MAPK10ALDH1A1KDM4EMAPT
SCHEMBL1518754 0.84 MAPK8 (1.00) MAPK8MAPK10ALDH1A1KDM4EMAPT
SCHEMBL4000098 0.82 PLK1 (0.59) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL8351775 0.81 MAPK8 (0.69) MAPK8MAPK10ALDH1A1KDM4EMAPT
SCHEMBL21312570 0.79 SYK (0.59) MAPK8MAPK10MAPTNPC1RAB9A
SCHEMBL21312568 0.74 SYK (0.56) MAPK8MAPK10MAPTNPSR1TSHR
SCHEMBL7162261 0.74 ALDH1A1 (0.79) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL23011774 0.74 ALDH1A1 (0.84) ALDH1A1MAPTKMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069314-A1 PYRIMIDINES DERIVATIVES AND THEIR USE AS KINASE INHIBITORS CGI Pharmaceuticals, Inc. (US) 2009-06-17 EP claimed
US-20080125417-A1 CERTAIN PYRIMIDINES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. 2008-05-29 US claimed
WO-2008033834-A1 PYRIMIDINES DERIVATIVES AND THEIR USE AS KINASE INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2008-03-20 WO claimed
EP-2069314-A1 PYRIMIDINES DERIVATIVES AND THEIR USE AS KINASE INHIBITORS CGI Pharmaceuticals, Inc. (US) 2009-06-17 EP disclosed
US-20080125417-A1 CERTAIN PYRIMIDINES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. 2008-05-29 US disclosed
WO-2008033834-A1 PYRIMIDINES DERIVATIVES AND THEIR USE AS KINASE INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2008-03-20 WO disclosed
US-7312227-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-25 US disclosed
US-7312227-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-25 US disclosed
WO-2004041789-A1 COMPOSITIONS USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-05-21 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 (1 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-20080125417-A1 CERTAIN PYRIMIDINES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, TK1 MAPK8 2068/4885MAPK10 2354/4885ALDH1A1 2662/4885

“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.