SCHEMBL5335286

SCHEMBL5335286

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.44
MTOR P42345 1/20 0.40
ABCG2 Q9UNQ0 2/20 0.39
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
TERT O14746 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE1C Q14123 1/20 0.38
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PDE6C P51160 1/20 0.36
PDE4B Q07343 1/20 0.36

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
SCHEMBL5355823 0.93 PDE5A (0.41) PDE5AMTORABCG2TERTALDH1A1
SCHEMBL5413892 0.90 PDE5A (0.46) PDE5AMTORTERTALDH1A1MEN1
SCHEMBL5371349 0.85 MTOR (0.40) PDE5AMTORTERTALDH1A1MEN1
SCHEMBL5410928 0.83 PDE5A (0.51) PDE5AMTORTERTALDH1A1MEN1
Hydrochloric Acid SCHEMBL5363389 0.82 ABCG2 (0.56) PDE5AABCG2ABCB1ABCC1MEN1
Hydrochloric Acid SCHEMBL5477348 0.79 PDE5A (0.40) PDE5AMTORTERTALDH1A1MEN1
SCHEMBL5330123 0.79 PDE5A (0.47) PDE5AMTORALDH1A1MEN1HPGD
SCHEMBL5365432 0.78 ABCG2 (0.50) PDE5AMTORABCG2ABCB1ABCC1
SCHEMBL5355834 0.78 TDP2 (0.40) PDE5AMTORTERTKMT2AHDAC1
Hydrochloric Acid SCHEMBL5358447 0.77 ABCG2 (0.49) PDE5AMTORABCG2ABCB1ABCC1

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 5 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
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
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 (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-20060128729-A1 Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them HPSE, ENGASE, UGCG PDE5A 3544/4885MTOR 1227/4885ABCG2 3081/4885

“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.