SCHEMBL4001863

SCHEMBL4001863

Nc1cccc(Nc2cc(-c3cccc(NC(=O)c4cccs4)c3)ccn2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
ABL1 P00519 1/20 0.54
PDGFRB P09619 1/20 0.54
SRC P12931 1/20 0.54
PDGFRA P16234 1/20 0.54
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
KDM4E B2RXH2 4/20 0.52
LMNA P02545 3/20 0.52
HTT P42858 2/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
PKM P14618 1/20 0.51
CLK1 P49759 1/20 0.50
HPGD P15428 4/20 0.49
GAA P10253 3/20 0.49
ALDH1A1 P00352 2/20 0.49
GLA P06280 2/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL8350719 0.93 SMN1; SMN2 (0.62) MAPTSMN1; SMN2ABL1PDGFRBSRC
SCHEMBL2941787 0.83 ABL1 (0.75) MAPTSMN1; SMN2ABL1PDGFRBSRC
SCHEMBL4002795 0.83 GRM4 (0.53) SMN1; SMN2ABL1SRCNPC1RAB9A
SCHEMBL13874759 0.82 MAPT (1.00) MAPTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL8353816 0.81 SMN1; SMN2 (0.51) MAPTSMN1; SMN2ABL1PDGFRBSRC
SCHEMBL8349353 0.80 MAPK8 (0.71) MAPTSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL4000628 0.77 ABL1 (0.69) MAPTSMN1; SMN2ABL1PDGFRBSRC
SCHEMBL29684351 0.75 KCNK3 (0.74) MAPTSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL8351775 0.73 MAPK8 (0.69) MAPTSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL23011772 0.72 KCNK3 (0.82) MAPTSMN1; SMN2KMT2AMEN1HTT

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
CN-101605766-A Pyrimidine derivatives and they are as the purposes of kinase inhibitor CGI PHARMACEUTICALS INC (US) 2009-12-16 CN claimed
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-1562911-B1 COMPOSITIONS USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2010-01-06 EP disclosed
CN-101605766-A Pyrimidine derivatives and they are as the purposes of kinase inhibitor CGI PHARMACEUTICALS INC (US) 2009-12-16 CN disclosed
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 MAPT 4560/4885SMN1; SMN2 2860/4885ABL1 131/4885

“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.