SCHEMBL7518604

SCHEMBL7518604

Cc1ccc(S(=O)(=O)OCCOc2ccc(Nc3nccc(-c4cccc(C#N)c4)n3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 0.49
CHUK O15111 4/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
BRD4 O60885 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
SMG1 Q96Q15 1/20 0.45
SYK P43405 1/20 0.45
DKK1 O94907 1/20 0.44
GSK3B P49841 1/20 0.44
KIT P10721 1/20 0.43

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
SCHEMBL12275887 0.79 IKBKB (0.60) IKBKBMEN1KMT2ABRD4NPC1
SCHEMBL1667472 0.79 MEN1 (0.75) IKBKBMEN1KMT2ABRD4NPC1
SCHEMBL6033236 0.78 KDR (0.67) RAB9A
SCHEMBL12274400 0.77 AIMP2 (0.61) MEN1KMT2ABRD4NPC1RAB9A
SCHEMBL12274387 0.75 SMG1 (0.60) SMG1
SCHEMBL1667082 0.74 SYK (0.60) IKBKBCHUKMEN1KMT2ABRD4
SCHEMBL7518599 0.74 CDK1 (0.43) MEN1KMT2A
SCHEMBL1667086 0.73 PLK1 (0.68) IKBKBCHUKMEN1KMT2ABRD4
SCHEMBL12275241 0.73 PLK1 (0.61) IKBKBCHUKMEN1KMT2ABRD4
SCHEMBL12274499 0.73 PLK1 (0.73) IKBKBMEN1KMT2ABRD4SMG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMITED (GB) 2002-10-10 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 (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-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR IKBKB 1417/4885CHUK 145/4885MEN1 4769/4885

“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.