SCHEMBL5845892

SCHEMBL5845892

CCc1nc([C@H]2CC[C@@H](C(C)(C)C)CC2)n2nc(-c3cccc(F)c3)[nH]c(=O)c12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.42
PDE1A P54750 4/20 0.39
PDE1B Q01064 4/20 0.39
PDE1C Q14123 4/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PIM1 P11309 1/20 0.34
PLAT P00750 1/20 0.32
TYMP P19971 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
SPR P35270 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
MAT2A P31153 1/20 0.31

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
SCHEMBL5845215 1.00 PDE5A (0.42) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL5883949 0.90 PDE5A (0.48) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL5884307 0.90 PDE5A (0.50) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL5860660 0.89 PDE5A (0.42) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL5860664 0.89 PDE5A (0.42) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL5845937 0.89 PDE5A (0.42) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL5859599 0.89 PDE5A (0.42) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL5845859 0.89 PDE5A (0.44) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL5845866 0.89 PDE5A (0.44) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL5845046 0.87 PDE5A (0.40) PDE5APDE1APDE1BPDE1CPLAT

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-7115602-B2 Heterocycles 3 BAYER AKTIENGESELLSCHAFT (DE) 2006-10-03 US claimed
US-20050065153-A1 Novel heterocycles 3 BAYER AKTIENGESELLSCHAFT (DE) 2005-03-24 US claimed

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-20050065153-A1 Novel heterocycles 3 NFATC1, NOD2, NFKBIA PDE5A 1993/4885PDE1A 3380/4885PDE1B 3869/4885

“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.