SCHEMBL21750432

SCHEMBL21750432

O=[N+]([O-])c1ccc2nccc(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
MAPT P10636 5/20 0.60
ALDH1A1 P00352 4/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
POLB P06746 2/20 0.60
LMNA P02545 2/20 0.60
RAB9A P51151 2/20 0.60
KDM4E B2RXH2 2/20 0.60
GLA P06280 1/20 0.60
GAA P10253 1/20 0.60
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
RCE1 Q9Y256 1/20 0.60
PKM P14618 1/20 0.55
NPC1 O15118 2/20 0.49
TRPA1 O75762 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL23202935 0.85 CCNC (0.74) CCNCCDK8MAPTALDH1A1MEN1
SCHEMBL30827842 0.85 CCNC (0.74) CCNCCDK8MAPTALDH1A1MEN1
SCHEMBL4910296 0.80 CCNC (0.66) CCNCCDK8MAPTALDH1A1MEN1
SCHEMBL21750461 0.79 CCNC (1.00) CCNCCDK8MAPTALDH1A1MEN1
SCHEMBL21750458 0.79 CCNC (1.00) CCNCCDK8MAPTALDH1A1MEN1
SCHEMBL7500529 0.79 CCNC (0.72) CCNCCDK8MAPTALDH1A1MEN1
SCHEMBL21750454 0.79 CCNC (1.00) CCNCCDK8MAPTALDH1A1MEN1
SCHEMBL7502818 0.79 HTR1A (0.74) CCNCCDK8MAPTALDH1A1MEN1
SCHEMBL21750424 0.79 CCNC (0.72) CCNCCDK8MAPTALDH1A1MEN1
SCHEMBL2595083 0.79 CCNC (0.65) CCNCCDK8MAPTALDH1A1MEN1

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 1/4885MAPT 2574/4885
US-11014906-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 CDK8, CDK9, CDK19 CCNC 35/4885CDK8 1/4885MAPT 2326/4885
US-12281080-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 CDK8, CDK9, CDK19 CCNC 35/4885CDK8 1/4885MAPT 2326/4885
US-20210276956-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 CDK8, CDK9, CDK19 CCNC 34/4885CDK8 1/4885MAPT 2574/4885

“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.