SCHEMBL21756262

SCHEMBL21756262

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.55
LMNA P02545 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
TP53 P04637 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CDK8 P49336 2/20 0.52
CSNK1A1 P48729 1/20 0.52
CSNK1D P48730 1/20 0.52
CSNK1E P49674 1/20 0.52
GSK3A P49840 1/20 0.52
HASPIN Q8TF76 1/20 0.52
RIOK2 Q9BVS4 1/20 0.52
CDK19 Q9BWU1 1/20 0.52
F10 P00742 6/20 0.51
CYP3A4 P08684 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
CDK4 P11802 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
SCHEMBL4229148 0.83 CHEK1 (0.63) CHKALMNANPC1RAB9ATP53
Hydrochloric Acid SCHEMBL5398809 0.81 CHEK1 (0.62) CHKALMNANPC1RAB9ATP53
SCHEMBL3822792 0.81 CHEK1 (0.63) CHKALMNANPC1RAB9ATP53
SCHEMBL64153 0.79 ALDH1A1 (0.64) CHKALMNANPC1RAB9ATP53
SCHEMBL14898441 0.79 NPC1 (0.54) LMNANPC1RAB9ATP53SMN1; SMN2
SCHEMBL21756321 0.78 CHKA (0.62) CHKALMNANPC1RAB9ATP53
SCHEMBL5235280 0.78 TSHR (0.54) LMNANPC1RAB9ATP53SMN1; SMN2
SCHEMBL19771379 0.77 NPC1 (0.83) LMNANPC1RAB9ATP53SMN1; SMN2
SCHEMBL5235537 0.76 ALDH1A1 (0.59) LMNASMN1; SMN2CYP2D6TSHRCLK4
SCHEMBL21750394 0.76 MAPT (0.56) LMNASMN1; SMN2

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 488/4885LMNA 544/4885NPC1 2895/4885
US-11014906-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 CDK8, CDK9, CDK19 CHKA 510/4885LMNA 588/4885NPC1 2570/4885
US-20210276956-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 CDK8, CDK9, CDK19 CHKA 488/4885LMNA 544/4885NPC1 2895/4885

“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.