SCHEMBL21750409

SCHEMBL21750409

CN(C)C(=O)c1ccc2cc(CC#N)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
CDK19 Q9BWU1 1/20 0.47
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DHODH Q02127 1/20 0.42
KDM2B Q8NHM5 3/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
PDK2 Q15119 2/20 0.40
PDK4 Q16654 2/20 0.40
PTPRC P08575 1/20 0.40
PTPN1 P18031 1/20 0.40
NCEH1 Q6PIU2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ACHE P22303 1/20 0.40
PDK1 Q15118 1/20 0.38
PDK3 Q15120 1/20 0.38

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
SCHEMBL21750392 0.81 GRIN2D (0.51) KDM4ETDP1DHODHALDH1A1HPGD
SCHEMBL30369998 0.81 GRIN2D (0.51) KDM4ETDP1DHODHALDH1A1HPGD
SCHEMBL2633028 0.81 CYP1A2 (0.48) CCNCCDK8CDK19DHODHKDM2B
SCHEMBL9193164 0.80 ALDH1A1 (0.59) KDM4EKDM2BALDH1A1SMN1; SMN2HPGD
SCHEMBL21750423 0.80 PTPN1 (0.43) KDM4ETDP1ALDH1A1SMN1; SMN2PTPRC
SCHEMBL21750396 0.79 PTPN11 (0.49) DHODHKMT2A
SCHEMBL31418383 0.77 DHODH (0.57) CCNCCDK8CDK19DHODHKDM2B
SCHEMBL21750425 0.77 DHODH (0.57) CCNCCDK8CDK19DHODHKDM2B
SCHEMBL23780567 0.76 CCNC (0.39) CCNCCDK8ALDH1A1PDK2PTPRC
SCHEMBL6561661 0.76 KDM4E (0.59) KDM4ETDP1PTPRCPTPN1MEN1

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 7 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-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-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
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 CCNC 34/4885CDK8 1/4885CDK19 3/4885
US-11014906-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 CDK8, CDK9, CDK19 CCNC 35/4885CDK8 1/4885CDK19 3/4885
US-12281080-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 CDK8, CDK9, CDK19 CCNC 35/4885CDK8 1/4885CDK19 3/4885
US-20210276956-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 CDK8, CDK9, CDK19 CCNC 34/4885CDK8 1/4885CDK19 3/4885

“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.