SCHEMBL21750465

SCHEMBL21750465

CN1CCN(C(=O)c2ccc3cc(CC#N)ccc3c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.63
TSHR P16473 1/20 0.63
CCNC P24863 2/20 0.52
CDK8 P49336 2/20 0.52
MAP4K2 Q12851 2/20 0.52
HASPIN Q8TF76 2/20 0.52
CDK19 Q9BWU1 2/20 0.52
CDK1 P06493 2/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HRH3 Q9Y5N1 2/20 0.49
NPC1 O15118 2/20 0.47
POLB P06746 2/20 0.47
CTSB P07858 1/20 0.46
AKR1C1 Q04828 1/20 0.45
GRM5 P41594 1/20 0.45
ALOX15 P16050 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL6705887 0.86 HRH3 (0.59) HPGDTSHRMEN1KMT2AHRH3
SCHEMBL23780583 0.85 CCNC (0.52) HPGDTSHRCCNCCDK8MAP4K2
SCHEMBL21750452 0.83 CCNC (0.56) HPGDTSHRCCNCCDK8MEN1
SCHEMBL20449044 0.83 HPGD (0.87) HPGDTSHRMEN1KMT2ANPC1
SCHEMBL21750408 0.81 HRH3 (0.50) HPGDTSHRCCNCCDK8CDK19
SCHEMBL21750444 0.81 HPGD (0.64) HPGDTSHRCCNCCDK8MAP4K2
Hydrochloric Acid SCHEMBL17390093 0.80 HPGD (0.63) HPGDTSHRCCNCCDK8MAP4K2
SCHEMBL21756206 0.79 HPGD (0.61) HPGDTSHRCCNCCDK8MAP4K2
SCHEMBL23780579 0.78 NPC1 (0.43) HPGDTSHRCCNCCDK8MAP4K2
SCHEMBL4548025 0.78 TSHR (1.00) HPGDTSHRMEN1KMT2AHRH3

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 HPGD 2266/4885TSHR 3516/4885CCNC 34/4885
US-11014906-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 CDK8, CDK9, CDK19 HPGD 2358/4885TSHR 3431/4885CCNC 35/4885
US-12281080-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 CDK8, CDK9, CDK19 HPGD 2358/4885TSHR 3431/4885CCNC 35/4885
US-20210276956-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 CDK8, CDK9, CDK19 HPGD 2266/4885TSHR 3516/4885CCNC 34/4885

“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.