SCHEMBL21756321

SCHEMBL21756321

CN1CCCN(c2ccc(CC(=O)N(C)C)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 2/20 0.62
NCF1 P14598 1/20 0.56
CDK8 P49336 2/20 0.54
RIOK2 Q9BVS4 1/20 0.54
CDK19 Q9BWU1 1/20 0.54
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
LMNA P02545 2/20 0.49
AOC3 Q16853 1/20 0.46
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
F10 P00742 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
CYP2C9 P11712 1/20 0.43
GRIA2 P42262 1/20 0.43
KMT2A Q03164 2/20 0.43
ACE2 Q9BYF1 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL5237621 0.80 CDK8 (0.48) CDK8RIOK2CDK19AOC3CYP2C9
SCHEMBL12010815 0.80 CHKA (0.61) CHKANCF1NPC1RAB9ALMNA
SCHEMBL21756262 0.78 CHKA (0.55) CHKANCF1CDK8RIOK2CDK19
SCHEMBL5237984 0.78 ADRB1 (0.49) CDK8RIOK2CDK19LMNAAOC3
SCHEMBL22291084 0.78 LMNA (0.53) CDK8RIOK2CDK19LMNASMN1; SMN2
SCHEMBL2371447 0.77 ITGB3 (0.63) CHKANCF1NPC1RAB9ALMNA
SCHEMBL2370707 0.76 NPC1 (0.56) CHKANCF1NPC1RAB9ALMNA
SCHEMBL5235413 0.75 TMEM97 (0.51) CDK8RIOK2CDK19NPC1RAB9A
SCHEMBL21756320 0.75 CHKA (0.62) CHKANCF1NPC1RAB9ALMNA
SCHEMBL21624879 0.74 MAPT (0.55) CHKANPC1RAB9ALMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (3 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 CHKA 488/4885NCF1 2740/4885CDK8 1/4885
US-11014906-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 CDK8, CDK9, CDK19 CHKA 510/4885NCF1 2795/4885CDK8 1/4885
US-20210276956-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 CDK8, CDK9, CDK19 CHKA 488/4885NCF1 2740/4885CDK8 1/4885

“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.