SCHEMBL24324227

SCHEMBL24324227

CCCN(C)Cn1nc2n(CCC)c(=O)c3ccccc3n2c1=S

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 12/20 1.00
APOBEC3G Q9HC16 5/20 0.54
GAA P10253 3/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.42
TSHR P16473 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL24324204 0.90 PLK1 (1.00) PLK1APOBEC3GGAANPC1SMN1; SMN2
SCHEMBL24324393 0.85 PLK1 (1.00) PLK1APOBEC3GGAANPC1SMN1; SMN2
SCHEMBL24324927 0.82 PLK1 (0.73) PLK1APOBEC3GGAANPC1SMN1; SMN2
SCHEMBL29446376 0.80 PLK1 (1.00) PLK1APOBEC3GGAANPC1SMN1; SMN2
SCHEMBL24324056 0.78 PLK1 (0.64) PLK1APOBEC3GGAANPC1SMN1; SMN2
SCHEMBL24324198 0.70 PLK1 (1.00) PLK1APOBEC3GGAANPC1
SCHEMBL8649693 0.68 PLK1 (0.52) PLK1APOBEC3GGAANPC1SMN1; SMN2
SCHEMBL24324739 0.65 PLK1 (0.74) PLK1GAASMN1; SMN2TSHRUSP2
SCHEMBL11085909 0.65 ALDH1A1 (0.84) PLK1APOBEC3GGAANPC1SMN1; SMN2
SCHEMBL12963546 0.65 PGR (0.59) PLK1GAANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-11-16 US disclosed
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-11-16 US disclosed
EP-4216958-A2 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER The United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2023-08-02 EP disclosed
WO-2022067100-A2 PLK1 POLO BOX DOMAIN INHIBITOR AND METHOD OF TREATING CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-03-31 WO disclosed
WO-2022067100-A2 PLK1 POLO BOX DOMAIN INHIBITOR AND METHOD OF TREATING CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-03-31 WO 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 (1 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-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER PLK1, PLK4, BUB1B PLK1 1/4885APOBEC3G 3281/4885GAA 3466/4885

“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.