SCHEMBL23977398

SCHEMBL23977398

C#Cc1ccc(Cn2cnc3c(N)nc(F)nc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
ADORA2A P29274 2/20 0.44
PI4KA P42356 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44
PI4K2A Q9BTU6 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
YTHDC1 Q96MU7 1/20 0.42
PDE8A O60658 4/20 0.41
PNP P00491 2/20 0.40
HDAC6 Q9UBN7 4/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC4 P56524 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL30483841 1.00 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL23977339 0.87 CDK1 (0.54) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL23977384 0.81 ADORA2A (0.68) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL30225385 0.81 ADORA2A (0.68) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL31124776 0.76 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL21977339 0.75 CDK1 (0.57) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL31124730 0.74 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL31139319 0.74 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL31139304 0.74 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL31124731 0.74 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DADORA2A

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-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2023-07-13 US disclosed
US-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2023-07-13 US disclosed
WO-2021219813-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2021-11-04 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-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES HDAC6, Q6ZSR9, MON2 PDE4A 4499/4885PDE4B 3836/4885PDE4C 4475/4885

“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.