SCHEMBL3405756

SCHEMBL3405756

N#CCc1ccc(OC(=O)N(CCCCc2nn[nH]n2)c2ccc3nc(S)sc3n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 4/20 0.34
CYSLTR1 Q9Y271 4/20 0.34
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
P2RY12 Q9H244 2/20 0.34
MLYCD O95822 1/20 0.32

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
SCHEMBL3403725 0.91 PDE3B (0.35) CYSLTR2CYSLTR1PDE3BPDE3AP2RY12
SCHEMBL3406261 0.88 MLYCD (0.33) CYSLTR2CYSLTR1PDE3BPDE3AP2RY12
SCHEMBL3405778 0.88 PDE3B (0.36) CYSLTR2CYSLTR1PDE3BPDE3AP2RY12
SCHEMBL3403843 0.87 PDE3B (0.35) CYSLTR2CYSLTR1PDE3BPDE3AP2RY12
SCHEMBL3406289 0.87 PDE3B (0.37) CYSLTR2CYSLTR1PDE3BPDE3AP2RY12
SCHEMBL2867049 0.86 PDE3B (0.35) CYSLTR2CYSLTR1PDE3BPDE3AP2RY12
SCHEMBL3403716 0.86 MLYCD (0.32) PDE3BPDE3AP2RY12MLYCD
SCHEMBL3401944 0.86 MLYCD (0.41) CYSLTR2CYSLTR1PDE3BPDE3AP2RY12
SCHEMBL3406284 0.85 PDE3B (0.34) CYSLTR2CYSLTR1PDE3BPDE3AP2RY12
SCHEMBL3402006 0.84 KMT2A (0.32) CYSLTR2CYSLTR1

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-1370260-B1 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-24 EP claimed
US-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-13 US claimed
EP-1370260-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-12-17 EP claimed
WO-2002066035-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-29 WO 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-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators ME1, ME3, ME2 CYSLTR2 4151/4885CYSLTR1 3537/4885PDE3B 1953/4885

“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.