SCHEMBL21392525

SCHEMBL21392525

COC(=O)Cn1cc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)cn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.40
FFAR1 O14842 2/20 0.38
DGAT1 O75907 1/20 0.37
PDK2 Q15119 4/20 0.35
HIF1A Q16665 3/20 0.35
CTSK P43235 1/20 0.35
CTSC P53634 1/20 0.35
SYK P43405 1/20 0.35
FAAH O00519 1/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
FEN1 P39748 1/20 0.33

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
SCHEMBL19656294 0.84 FFAR1 (0.43) FFAR1DGAT1SYKFAAHLPL
SCHEMBL4099087 0.80 FFAR1 (0.57) FFAR1DGAT1HIF1ASYKFAAH
SCHEMBL20399992 0.78 FEN1 (0.41) ROCK1FFAR1LPLLIPGFEN1
SCHEMBL5538625 0.77 ROCK1 (0.43) ROCK1DGAT1PDK2HIF1APDGFRB
SCHEMBL25414529 0.73 FFAR1 (0.46) FFAR1DGAT1PRMT5WDR77LPL
SCHEMBL24896681 0.72 BACE1 (0.40) ROCK1FFAR1DGAT1HIF1APRMT5
SCHEMBL22448097 0.72 FFAR1 (0.46) FFAR1DGAT1LPLLIPG
SCHEMBL14710834 0.71 ROCK1 (0.60) ROCK1DGAT1HIF1APRMT5WDR77
SCHEMBL22642936 0.69 KCNH2 (0.53) CTSKCTSCKDR
SCHEMBL17939899 0.69 ROCK1 (0.52) ROCK1DGAT1HIF1APRMT5WDR77

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-11213520-B2 Phenylpyrazolylacetamide compounds and derivatives as CDK8/CDK19 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-01-04 US disclosed
EP-3464267-B1 NEW PHENYLPYRAZOLYLACETAMIDE COMPOUNDS AND DERIVATIVES AS CDK8/CDK19 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2020-09-23 EP 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 ROCK1 883/4885FFAR1 4806/4885DGAT1 4341/4885
US-20190290637-A1 NEW PHENYLPYRAZOLYLACETAMIDE COMPOUNDS AND DERIVATIVES AS CDK8/CDK19 INHIBITORS CDK9, CDK19, CDK8 ROCK1 875/4885FFAR1 4790/4885DGAT1 4403/4885

“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.