SCHEMBL23732620

SCHEMBL23732620

CCCc1cn(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.64
PDE1A P54750 4/20 0.59
PDE1B Q01064 4/20 0.59
PDE1C Q14123 4/20 0.59
PDE6A P16499 3/20 0.59
PDE3B Q13370 3/20 0.59
PDE3A Q14432 3/20 0.59
PDE2A O00408 2/20 0.59
PDE6D O43924 2/20 0.59
PDE9A O76083 2/20 0.59
PDE6G P18545 2/20 0.59
PDE4A P27815 2/20 0.59
ADORA1 P30542 2/20 0.59
ADRA1A P35348 2/20 0.59
PDE6B P35913 2/20 0.59
PDE6C P51160 2/20 0.59
PDE4B Q07343 2/20 0.59
PDE4C Q08493 2/20 0.59
PDE4D Q08499 2/20 0.59
KCNH2 Q12809 2/20 0.59

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
SCHEMBL18539070 0.94 PDE5A (0.63) PDE5APDE1APDE1BPDE1CPDE6A
SCHEMBL23937275 0.93 PDE5A (0.65) PDE5APDE1APDE1BPDE1CPDE6A
SCHEMBL6641779 0.87 PDE5A (0.81) PDE5APDE1APDE1BPDE1CPDE6A
SCHEMBL28531067 0.87 PDE5A (0.60) PDE5APDE1APDE1BPDE1CPDE6A
SCHEMBL19254528 0.86 PDE5A (0.78) PDE5APDE1APDE1BPDE1CPDE6A
SCHEMBL6529760 0.82 PDE5A (0.84) PDE5APDE1APDE1BPDE1CPDE6A
SCHEMBL23923868 0.82 PDE5A (0.68) PDE5A
Mirodenafil SCHEMBL15481149 0.82 PDE5A (0.80) PDE5APDE1APDE1BPDE1CPDE3B
Hydrochloric Acid SCHEMBL6641810 0.82 PDE5A (0.82) PDE5APDE1APDE1BPDE1CPDE6A
SCHEMBL6486204 0.81 PDE5A (0.79) PDE5APDE1APDE1BPDE1CPDE6A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210236504-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CANCER PATIENT STRATIFICATION AND CANCER TREATMENT BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-08-05 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 (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-20210236504-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CANCER PATIENT STRATIFICATION AND CANCER TREATMENT CREB1, CREBBP, SLFN12 PDE5A 6/4885PDE1A 129/4885PDE1B 97/4885

“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.