SCHEMBL24324280

SCHEMBL24324280

Cc1c(C(F)(F)F)ncn1C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
KDM5B Q9UGL1 1/20 0.32
HTT P42858 1/20 0.31
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL12340997 0.79 ALDH1A1 (0.30) ALDH1A1
SCHEMBL22756728 0.76 ALDH1A1 (0.32) ALDH1A1KDM4EKDM5B
SCHEMBL16592098 0.72 ALDH1A1 (0.40) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL22670047 0.72 ALDH1A1 (0.40) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL31332968 0.71 ALDH1A1 (0.39) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL31332913 0.71 ALDH1A1 (0.39) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL24785723 0.70 ALDH1A1 (0.41) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11783075 0.70 ALDH1A1 (0.41) ALDH1A1KDM4ERECQLKDM5BPOLB
SCHEMBL21737202 0.69
SCHEMBL413457 0.67

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-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
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 ALDH1A1 4253/4885PDE4A 2981/4885PDE4B 2930/4885

“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.