SCHEMBL21392388

SCHEMBL21392388

CC(O)c1ccc2cncc(Br)c2c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.44
CDK8 P49336 2/20 0.41
CCNC P24863 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
SLC22A12 Q96S37 1/20 0.34
PIKFYVE Q9Y2I7 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
IMPDH2 P12268 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
ABL1 P00519 1/20 0.30

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
SCHEMBL27192125 0.83 IMPDH2 (0.33) SLC22A12IMPDH2
SCHEMBL17981127 0.81 IMPDH2 (0.33) IMPDH2
SCHEMBL17981072 0.73 CYP1A2 (0.41) IMPDH2LMNAGAAHPGD
SCHEMBL29923537 0.73 CYP1A2 (0.41) IMPDH2LMNAGAAHPGD
SCHEMBL18105506 0.71 EGFR (0.46) PLAUIMPDH2MEN1LMNAKMT2A
SCHEMBL3128980 0.70 UGT2B7 (0.58) UGT2B7PLGPLAUCYP11B1CYP11B2
SCHEMBL30133773 0.70 UGT2B7 (0.58) UGT2B7PLGPLAUCYP11B1CYP11B2
SCHEMBL30188824 0.69 TDP1 (0.37) CYP11B1CYP11B2IMPDH2
SCHEMBL17981146 0.69 TDP1 (0.37) CYP11B1CYP11B2IMPDH2
SCHEMBL27191917 0.69 NOS1 (0.37) CYP11B1CYP11B2IMPDH2

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 UGT2B7 1836/4885CDK8 3/4885CCNC 39/4885
US-20190290637-A1 NEW PHENYLPYRAZOLYLACETAMIDE COMPOUNDS AND DERIVATIVES AS CDK8/CDK19 INHIBITORS CDK9, CDK19, CDK8 UGT2B7 2006/4885CDK8 3/4885CCNC 39/4885

“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.