SCHEMBL21756320

SCHEMBL21756320

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

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHKA P35790 2/20 0.62
NCF1 P14598 1/20 0.56
LMNA P02545 1/20 0.46
CTSC P53634 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ADRA2C P18825 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
PTK2B Q14289 1/20 0.41
ESR2 Q92731 1/20 0.41
F10 P00742 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
AOC3 Q16853 2/20 0.38
RORC P51449 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL21756321 0.75 CHKA (0.62) CHKANCF1LMNAALDH1A1KDM4E
SCHEMBL113454 0.74 CHKA (0.71) CHKANCF1LMNAALDH1A1KDM4E
SCHEMBL12010815 0.74 CHKA (0.61) CHKANCF1LMNAALDH1A1MAPT
SCHEMBL102674 0.74 CHKA (0.56) CHKANCF1ALDH1A1KDM4EGAA
SCHEMBL347427 0.70 CHKA (0.86) CHKANCF1LMNAALDH1A1KDM4E
SCHEMBL82022 0.70 CHKA (0.64) CHKANCF1LMNAALDH1A1KDM4E
SCHEMBL2371217 0.70 HSD17B10 (0.55) CHKANCF1LMNAALDH1A1KDM4E
SCHEMBL21756262 0.70 CHKA (0.55) CHKANCF1LMNAF10NPC1
SCHEMBL15247182 0.69 CHKA (0.58) CHKANCF1LMNAALDH1A1KDM4E
SCHEMBL24518338 0.69 CHKA (0.62) CHKANCF1LMNAALDH1A1KDM4E

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-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 (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-20200062728-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 CDK8, CDK9, CDK19 CHKA 488/4885NCF1 2740/4885LMNA 544/4885
US-11014906-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 CDK8, CDK9, CDK19 CHKA 510/4885NCF1 2795/4885LMNA 588/4885

“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.