SCHEMBL21392369

SCHEMBL21392369

Cc1nn(CC(=O)N(C)C)cc1-c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNC P24863 5/20 0.54
CDK8 P49336 5/20 0.54
LIPG Q9Y5X9 13/20 0.38
LPL P06858 12/20 0.38
FLT3 P36888 1/20 0.36
MYLK Q15746 1/20 0.36
AURKB Q96GD4 1/20 0.36
CILK1 Q9UPZ9 1/20 0.36
CDK11A Q9UQ88 1/20 0.36
FFAR1 O14842 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL19656318 0.88 CCNC (0.56) CCNCCDK8LIPGLPLFLT3
SCHEMBL22448092 0.87 LIPG (0.40) CCNCCDK8LIPGLPLFFAR1
SCHEMBL19656349 0.86 CCNC (0.39) CCNCCDK8LIPGLPL
SCHEMBL24896614 0.82 AAK1 (0.39) CCNCCDK8LIPGLPLFFAR1
SCHEMBL19656319 0.80 CCNC (0.52) CCNCCDK8LIPGLPLFLT3
SCHEMBL28877889 0.76 S1PR1 (0.39) CCNCCDK8LIPGLPLFFAR1
SCHEMBL26093683 0.76 LIPG (0.39) LIPGLPLFFAR1
SCHEMBL22448130 0.75 CCNC (0.41) CCNCCDK8LIPGLPLFFAR1
SCHEMBL26459129 0.75 LIPG (0.37) LIPGLPLFFAR1
SCHEMBL253500 0.74 FFAR1 (0.57) CCNCCDK8FLT3MYLKAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11213520-B2 Phenylpyrazolylacetamide compounds and derivatives as CDK8/CDK19 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-01-04 US disclosed
US-20190290637-A1 NEW PHENYLPYRAZOLYLACETAMIDE COMPOUNDS AND DERIVATIVES AS CDK8/CDK19 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-09-26 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-11213520-B2 Phenylpyrazolylacetamide compounds and derivatives as CDK8/CDK19 inhibitors CDK9, CDK19, CDK8 CCNC 39/4885CDK8 3/4885LIPG 4695/4885
US-20190290637-A1 NEW PHENYLPYRAZOLYLACETAMIDE COMPOUNDS AND DERIVATIVES AS CDK8/CDK19 INHIBITORS CDK9, CDK19, CDK8 CCNC 39/4885CDK8 3/4885LIPG 4758/4885

“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.