SCHEMBL21750461

SCHEMBL21750461

Brc1ccc2nccc(NCCc3ccccc3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 6/20 1.00
CDK8 P49336 6/20 1.00
HTT P42858 3/20 0.67
LMNA P02545 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
KDM4E B2RXH2 1/20 0.67
MEN1 O00255 1/20 0.67
ALDH1A1 P00352 1/20 0.67
GLA P06280 1/20 0.67
POLB P06746 1/20 0.67
GAA P10253 1/20 0.67
MAPT P10636 1/20 0.67
RAB9A P51151 1/20 0.67
KMT2A Q03164 1/20 0.67
RCE1 Q9Y256 1/20 0.67
SLC22A12 Q96S37 1/20 0.52
HTR1A P08908 4/20 0.51
ADRA1D P25100 4/20 0.51
ADRA1A P35348 4/20 0.51
ADRA1B P35368 4/20 0.51

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
SCHEMBL21750454 0.84 CCNC (1.00) CCNCCDK8HTTLMNASMN1; SMN2
SCHEMBL21750424 0.84 CCNC (0.72) CCNCCDK8HTTLMNASMN1; SMN2
SCHEMBL21750458 0.84 CCNC (1.00) CCNCCDK8HTTLMNASMN1; SMN2
SCHEMBL7500529 0.84 CCNC (0.72) CCNCCDK8HTTLMNASMN1; SMN2
SCHEMBL7502818 0.84 HTR1A (0.74) CCNCCDK8HTTLMNASMN1; SMN2
SCHEMBL7505432 0.83 CCNC (0.71) CCNCCDK8HTTLMNASMN1; SMN2
SCHEMBL7502035 0.83 HTR1A (0.75) CCNCCDK8HTTLMNASMN1; SMN2
SCHEMBL7505681 0.83 CCNC (0.70) CCNCCDK8HTTLMNASMN1; SMN2
SCHEMBL7505829 0.81 HTR1A (0.72) CCNCCDK8HTTLMNASMN1; SMN2
SCHEMBL21750400 0.81 CCNC (1.00) CCNCCDK8HTTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11014906-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 UNIVERSITY OF SOUTH CAROLINA (US) 2021-05-25 US claimed
US-20200062728-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 UNIVERSITY OF SOUTH CAROLINA (US) 2020-02-27 US claimed
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 CCNC 34/4885CDK8 1/4885HTT 2263/4885
US-11014906-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 CDK8, CDK9, CDK19 CCNC 35/4885CDK8 1/4885HTT 2342/4885
US-12281080-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 CDK8, CDK9, CDK19 CCNC 35/4885CDK8 1/4885HTT 2342/4885
US-20210276956-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 CDK8, CDK9, CDK19 CCNC 34/4885CDK8 1/4885HTT 2263/4885

“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.