SCHEMBL6068532

SCHEMBL6068532

CCOC(=O)c1sc(Nc2nc(N3CCC(O)CC3)cc(N3CCN(C(C)C)CC3)n2)nc1C

nearest known ligand 0.86

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.86
MAPT P10636 5/20 0.52
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 4/20 0.52
LMNA P02545 3/20 0.49
DHODH Q02127 5/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44

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
SCHEMBL290844 0.93 PDE5A (1.00) PDE5AMAPTKDM4EALDH1A1LMNA
SCHEMBL29831744 0.91 PDE5A (0.71) PDE5AMAPTKDM4EALDH1A1LMNA
SCHEMBL289230 0.91 PDE5A (0.71) PDE5AMAPTKDM4EALDH1A1LMNA
SCHEMBL2681053 0.90 PDE5A (0.88) PDE5AMAPTKDM4EALDH1A1LMNA
SCHEMBL290788 0.90 PDE5A (0.91) PDE5AMAPTKDM4EALDH1A1LMNA
SCHEMBL29832145 0.90 PDE5A (0.91) PDE5AMAPTKDM4EALDH1A1LMNA
Methane SCHEMBL4540930 0.90 PDE5A (0.86) PDE5AMAPTKDM4EALDH1A1LMNA
SCHEMBL6068573 0.89 PDE5A (0.84) PDE5AMAPTKDM4EALDH1A1LMNA
SCHEMBL291630 0.88 PDE5A (0.89) PDE5AMAPTKDM4EALDH1A1LMNA
SCHEMBL6068214 0.87 PDE5A (0.88) PDE5AMAPTKDM4EALDH1A1LMNA

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-20160158247-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors OMEROS CORPORATION 2016-06-09 US disclosed
US-7087614-B2 Pyrimidine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB CO. (US) 2006-08-08 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-20160158247-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors PDE7B, PDE4C, PDE4A PDE5A 8/4885MAPT 3149/4885KDM4E 838/4885

“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.