SCHEMBL4394095

SCHEMBL4394095

NC(=O)c1ccc(Sc2nc(Cl)cc(Cl)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.45
MAP4K4 O95819 3/20 0.41
MKNK1 Q9BUB5 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
MAPT P10636 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
CTRC Q99895 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GSTP1 P09211 1/20 0.38
GSTM2 P28161 1/20 0.38
PARP1 P09874 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
BCAT2 O15382 1/20 0.37

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
SCHEMBL3324241 0.77 AURKA (0.44) MEN1KMT2A
SCHEMBL7375985 0.77 MKNK1 (0.53) CHEK2MAP4K4MKNK1MKNK2NPC1
SCHEMBL4394098 0.76 MAPT (0.65) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6631157 0.76 CHEK2 (0.54) CHEK2MAP4K4MAPTCTRCPARP1
SCHEMBL1532386 0.76 SIRT2 (0.45) MAPTSIRT2MEN1KMT2ANPC1
SCHEMBL1148141 0.74 LOXL2 (0.42)
SCHEMBL8384783 0.74 MAPT (0.44) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL12102886 0.74 CXCL12 (0.46) MAPTMEN1KMT2A
SCHEMBL2989224 0.73 MAPT (0.43) MAPTMEN1KMT2ARAB9A
SCHEMBL28787855 0.72 HPGD (0.40) CHEK2MAPTCTRCMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130066069-A1 PROCESSES FOR PREPARING SUBSTITUTED PYRIMIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-14 US disclosed
US-20090298844-A1 ABL KINASE INHIBITION VERTEX PHARMACEUTICALS INCORPORATED 2009-12-03 US disclosed
WO-2007136615-A2 COMBINATION CANCER THERAPY MERCK & CO., INC. (US) 2007-11-29 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 (2 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-20090298844-A1 ABL KINASE INHIBITION ABL2, ABL1, PRKDC CHEK2 540/4885MAP4K4 75/4885MKNK1 193/4885
US-20130066069-A1 PROCESSES FOR PREPARING SUBSTITUTED PYRIMIDINES AURKA, AURKC, AURKB CHEK2 18/4885MAP4K4 182/4885MKNK1 145/4885

“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.