SCHEMBL23780583

SCHEMBL23780583

N#CCc1ccc2cc(C(=O)N3CCSCC3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNC P24863 3/20 0.52
CDK8 P49336 3/20 0.52
HPGD P15428 6/20 0.47
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 2/20 0.44
TSHR P16473 2/20 0.43
L3MBTL3 Q96JM7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AKR1C1 Q04828 1/20 0.42
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
DRD4 P21917 2/20 0.40
DPP4 P27487 1/20 0.40
CDK19 Q9BWU1 2/20 0.39
MAP4K2 Q12851 1/20 0.39
HASPIN Q8TF76 1/20 0.39
CDK1 P06493 1/20 0.39

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
SCHEMBL21750465 0.85 HPGD (0.63) CCNCCDK8HPGDALDH1A1NPC1
SCHEMBL31418384 0.81 CCNC (0.50) CCNCCDK8HPGDALDH1A1HSD17B10
SCHEMBL21750452 0.79 CCNC (0.56) CCNCCDK8HPGDNPC1TSHR
SCHEMBL4494253 0.76 HPGD (0.55) HPGDALDH1A1HSD17B10NPC1TSHR
SCHEMBL21750408 0.75 HRH3 (0.50) CCNCCDK8HPGDNPC1TSHR
SCHEMBL21750392 0.74 GRIN2D (0.51) HPGDALDH1A1HSD17B10
SCHEMBL30369998 0.74 GRIN2D (0.51) HPGDALDH1A1HSD17B10
SCHEMBL21750423 0.73 PTPN1 (0.43) ALDH1A1NPC1LMNA
SCHEMBL21750409 0.72 CCNC (0.47) CCNCCDK8HPGDALDH1A1CDK19
SCHEMBL23780579 0.72 NPC1 (0.43) CCNCCDK8HPGDNPC1TSHR

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-12281080-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 CDK8, CDK9, CDK19 CCNC 35/4885CDK8 1/4885HPGD 2358/4885
US-20210276956-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 CDK8, CDK9, CDK19 CCNC 34/4885CDK8 1/4885HPGD 2266/4885

“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.