Sugi Predict

Sugi Predict / Compounds / SCHEMBL5369656

SCHEMBL5369656

SCHEMBL5369656

CCCc1nn(C)c2c(-c3ccc(O)c(Cl)c3)nc(-c3ccc(F)cc3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 6/20 0.38
▸ NPC1 O15118 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MTOR P42345 1/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ ADORA3 P0DMS8 3/20 0.33
▸ ADORA2A P29274 3/20 0.33
▸ ADORA1 P30542 2/20 0.33
▸ PDE6C P51160 1/20 0.33
▸ MET P08581 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ PDE1A P54750 1/20 0.33
▸ PDE1B Q01064 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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 0.89 PDE5A (0.39) PDE5ANPC1HTTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL5328910 0.84 PDE5A (0.38) PDE5ANPC1HTTRAB9ASMN1; SMN2
SCHEMBL5410928 0.82 PDE5A (0.51) PDE5ANPC1HTTRAB9ASMN1; SMN2
SCHEMBL5377740 0.82 PDE5A (0.41) PDE5ANPC1HTTRAB9ASMN1; SMN2
SCHEMBL5361647 0.81 PDE5A (0.43) PDE5ANPC1HTTRAB9ASMN1; SMN2
SCHEMBL5371349 0.80 MTOR (0.40) PDE5ANPC1HTTRAB9ASMN1; SMN2
SCHEMBL5355823 0.80 PDE5A (0.41) PDE5ANPC1HTTRAB9ASMN1; SMN2
SCHEMBL5330123 0.80 PDE5A (0.47) PDE5AMTORHDAC1HDAC2HDAC6
SCHEMBL5360622 0.79 MAPK13 (0.39) PDE5ANPC1HTTRAB9ASMN1; SMN2
SCHEMBL5361630 0.78 PTGS2 (0.43) —

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 4 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
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 3544/4885NPC1 2345/4885HTT 1217/4885

“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.