SCHEMBL4155055

SCHEMBL4155055

NC(=O)c1cccc(-c2cncc(NCc3ccc(O)cc3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.53
CLK1 P49759 1/20 0.48
HDAC1 Q13547 2/20 0.45
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CYP11B2 P19099 2/20 0.44
RET P07949 1/20 0.44
CCNT1 O60563 1/20 0.44
CCND1 P24385 1/20 0.44
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44
CCNH P51946 1/20 0.44
MNAT1 P51948 1/20 0.44
CDK6 Q00534 1/20 0.44
VNN1 O95497 3/20 0.43
FLT1 P17948 2/20 0.43
GSK3B P49841 2/20 0.43
AURKA O14965 2/20 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
SCHEMBL4140030 0.91 FYN (0.53) FYNCLK1HDAC1HDAC8HDAC6
SCHEMBL4153724 0.90 MAP4K4 (0.49) FYNCLK1HDAC1HDAC8HDAC6
SCHEMBL4143243 0.90 FYN (0.57) FYNCLK1CYP11B2RETCCNT1
SCHEMBL4190030 0.87 FYN (0.60) FYNCLK1HDAC1HDAC8HDAC6
SCHEMBL4148171 0.87 MAP4K4 (0.52) FYNCLK1HDAC1CYP11B2VNN1
SCHEMBL4155753 0.85 S1PR1 (0.46) FYNCLK1HDAC1HDAC8HDAC6
SCHEMBL4156327 0.85 CLK1 (0.50) FYNCLK1HDAC1HDAC8HDAC6
SCHEMBL4143026 0.85 MKNK1 (0.50) FYNCLK1HDAC1VNN1AURKA
SCHEMBL4155314 0.84 VNN1 (0.55) FYNCLK1HDAC1HDAC6CYP11B2
SCHEMBL4191971 0.84 HDAC1 (0.47) FYNCLK1HDAC1MKNK1MKNK2

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-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes BIOFOCUS DISCOVERY LTD. 2009-06-25 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-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes ROCK1, ROCK2, CIT FYN 114/4885CLK1 567/4885HDAC1 2655/4885

“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.