SCHEMBL5330123

SCHEMBL5330123

CCCc1nn(C)c2c(-c3ccc(O)c(C)c3)nc(-c3ccccc3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.47
ESR1 P03372 5/20 0.37
ESR2 Q92731 5/20 0.37
MEN1 O00255 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
MTOR P42345 1/20 0.35
CDC7 O00311 1/20 0.35
PIM1 P11309 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CLK1 P49759 1/20 0.35
GSK3B P49841 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL6103493 0.91 PDE5A (0.39) PDE5AMEN1HPGDKMT2AALDH1A1
SCHEMBL5413892 0.87 PDE5A (0.46) PDE5AMEN1HPGDKMT2AALDH1A1
SCHEMBL5355834 0.86 TDP2 (0.40) PDE5AKMT2AMTORHDAC1HDAC2
SCHEMBL5375808 0.85 MTOR (0.39) PDE5AKMT2AMTORHDAC1HDAC2
SCHEMBL5410928 0.81 PDE5A (0.51) PDE5AMEN1HPGDKMT2AALDH1A1
SCHEMBL5369656 0.80 PDE5A (0.38) PDE5AMEN1HPGDKMT2AALDH1A1
SCHEMBL5335286 0.79 PDE5A (0.44) PDE5AMEN1HPGDKMT2AALDH1A1
SCHEMBL5371349 0.78 MTOR (0.40) PDE5AMEN1HPGDKMT2AALDH1A1
SCHEMBL5377740 0.75 PDE5A (0.41) PDE5AMEN1HPGDKMT2AALDH1A1
SCHEMBL5359600 0.73 PDE5A (0.43) PDE5AMEN1KMT2AHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814885-A2 NOVEL BICYCLIC HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-08-08 EP claimed
WO-2006073610-A2 NOVEL BICYCLIC HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-07-13 WO claimed
US-20060128729-A1 Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-06-15 US claimed
EP-1814885-A2 NOVEL BICYCLIC HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-08-08 EP disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US disclosed
WO-2006073610-A2 NOVEL BICYCLIC HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-07-13 WO disclosed
US-20060128729-A1 Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-06-15 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 (2 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-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 PDE5A 195/4885ESR1 3077/4885ESR2 2906/4885
US-20060128729-A1 Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them HPSE, ENGASE, UGCG PDE5A 3544/4885ESR1 3487/4885ESR2 2750/4885

“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.