SCHEMBL21750416

SCHEMBL21750416

CCCNc1ccnc2ccc(C#N)cc12

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 11/20 0.69
CCNC P24863 10/20 0.69
PDE5A O76074 1/20 0.56
HTR1A P08908 5/20 0.55
ADRA1D P25100 5/20 0.55
ADRA1A P35348 5/20 0.55
ADRA1B P35368 5/20 0.55
CDK19 Q9BWU1 3/20 0.54
GAK O14976 1/20 0.53
RIPK2 O43353 1/20 0.53
COQ8A Q8NI60 1/20 0.53
NLK Q9UBE8 1/20 0.53
MAP4K2 Q12851 1/20 0.49
HASPIN Q8TF76 1/20 0.49
MAPKAPK2 P49137 2/20 0.48

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
SCHEMBL21750400 0.82 CCNC (1.00) CDK8CCNCPDE5ACDK19MAP4K2
SCHEMBL23999973 0.81 GAK (0.59) CDK8CCNCPDE5AHTR1AADRA1D
SCHEMBL21750414 0.78 CCNC (0.77) CDK8CCNCPDE5ACDK19GAK
SCHEMBL22274361 0.78 HTR1A (0.59) CDK8CCNCHTR1AADRA1DADRA1A
SCHEMBL21750391 0.77 GAK (0.55) CDK8CCNCPDE5AHTR1AADRA1D
SCHEMBL4996776 0.75 PDE5A (0.81) CDK8CCNCPDE5ACDK19GAK
SCHEMBL4142709 0.74 HTR1A (0.80) HTR1AADRA1DADRA1AADRA1B
SCHEMBL18720521 0.74 ABCB1 (0.45) CDK8CCNC
SCHEMBL18041216 0.74 HTR1A (0.54) CDK8CCNCHTR1AADRA1DADRA1A
SCHEMBL981901 0.72 CDK8 (0.51) CDK8CCNCPDE5ACDK19GAK

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-12281080-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 UNIVERSITY OF SOUTH CAROLINA (US) 2025-04-22 US disclosed
US-20210276956-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 UNIVERSITY OF SOUTH CAROLINA (US) 2021-09-09 US disclosed
US-11014906-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 UNIVERSITY OF SOUTH CAROLINA (US) 2021-05-25 US disclosed
US-20200062728-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 UNIVERSITY OF SOUTH CAROLINA (US) 2020-02-27 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 (4 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-20200062728-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 CDK8, CDK9, CDK19 CDK8 1/4885CCNC 34/4885PDE5A 2042/4885
US-11014906-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 CDK8, CDK9, CDK19 CDK8 1/4885CCNC 35/4885PDE5A 2279/4885
US-12281080-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 CDK8, CDK9, CDK19 CDK8 1/4885CCNC 35/4885PDE5A 2279/4885
US-20210276956-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 CDK8, CDK9, CDK19 CDK8 1/4885CCNC 34/4885PDE5A 2042/4885

“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.