SCHEMBL24324204

SCHEMBL24324204

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 14/20 1.00
APOBEC3G Q9HC16 7/20 0.47
GAA P10253 4/20 0.47
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL24324227 0.90 PLK1 (1.00) PLK1APOBEC3GGAANPC1ALDH1A1
SCHEMBL24324393 0.75 PLK1 (1.00) PLK1APOBEC3GGAANPC1ALDH1A1
SCHEMBL24324927 0.72 PLK1 (0.73) PLK1APOBEC3GGAANPC1ALDH1A1
SCHEMBL29446376 0.70 PLK1 (1.00) PLK1APOBEC3GGAANPC1ALDH1A1
SCHEMBL24324056 0.68 PLK1 (0.64) PLK1APOBEC3GGAANPC1ALDH1A1
SCHEMBL9150234 0.66 ERCC1 (0.55) PLK1APOBEC3GGAANPC1ALDH1A1
SCHEMBL13425228 0.62 GAA (0.55) PLK1APOBEC3GGAANPC1ALDH1A1
SCHEMBL11083378 0.61 ALDH1A1 (0.67) PLK1APOBEC3GGAAALDH1A1SMN1; SMN2
SCHEMBL24324198 0.60 PLK1 (1.00) PLK1APOBEC3GGAANPC1
SCHEMBL9148820 0.60 ERCC1 (0.59) PLK1APOBEC3GGAAALDH1A1SMN1; 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 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.