SCHEMBL6523962

SCHEMBL6523962

Cc1nc2ccccn2c1-c1csc(N(CC(F)(F)F)c2ccc(C(=O)Nc3ccccc3N)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.55
CDK2 P24941 3/20 0.42
CDK4 P11802 2/20 0.42
CCNE1 P24864 2/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PIM1 P11309 1/20 0.42
RPS6KB1 P23443 1/20 0.42
FLT4 P35916 1/20 0.42
FLT3 P36888 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
CSNK1D P48730 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
CSNK2A1 P68400 1/20 0.42
DYRK1A Q13627 1/20 0.42
TAOK1 Q7L7X3 1/20 0.42
PIM3 Q86V86 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42

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
SCHEMBL12847237 0.89 CDK2 (0.46) HDAC1CDK2CDK4CCNE1PRKD3
SCHEMBL3683772 0.89 CDK2 (0.46) HDAC1CDK2CDK4CCNE1PRKD3
SCHEMBL12847239 0.85 CDK2 (0.46) CDK2CDK4CCNE1PRKD3MAP4K4
SCHEMBL12847238 0.82 MAPK1 (0.48) CDK2CDK4CCNE1PRKD3MAP4K4
SCHEMBL12790051 0.79 CDK2 (0.48) HDAC1CDK2CDK4CCNE1PRKD3
SCHEMBL3683767 0.79 PRKD3 (0.66) HDAC1CDK2PRKD3MAP4K4PIM1
SCHEMBL196976 0.76 HDAC1 (0.56) HDAC1CDK2CDK4CCNE1PRKD3
SCHEMBL12790485 0.76 HDAC1 (0.54) HDAC1CDK2CDK4CCNE1PRKD3
SCHEMBL12790053 0.75 CDK2 (0.47) CDK2CDK4CCNE1PRKD3MAP4K4
SCHEMBL197274 0.75 HDAC1 (0.54) HDAC1CDK2CDK4CCNE1PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110052527-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-03-03 US disclosed
US-20110052527-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-03-03 US disclosed
US-20110052527-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-03-03 US disclosed
US-20090005374-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD SCIENCES, INC. 2009-01-01 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 (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-20090005374-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC8, HDAC5 HDAC1 1/4885CDK2 30/4885CDK4 23/4885
US-20110052527-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC8, HDAC5 HDAC1 1/4885CDK2 30/4885CDK4 23/4885

“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.