SCHEMBL2863658

SCHEMBL2863658

N#Cc1ccc(OC(=O)N(CCCCc2nn[nH]n2)c2ccc3nc(S)sc3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
P2RY12 Q9H244 2/20 0.36
MLYCD O95822 1/20 0.36
CACNA1B Q00975 3/20 0.34
CACNA1H O95180 2/20 0.34
CYSLTR2 Q9NS75 4/20 0.33
CYSLTR1 Q9Y271 4/20 0.33
TMPRSS15 P98073 2/20 0.33
CYP3A4 P08684 1/20 0.32
SCN9A Q15858 2/20 0.32
CTH P32929 1/20 0.31

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
SCHEMBL2867049 0.91 PDE3B (0.35) PDE3BPDE3AP2RY12MLYCDCYSLTR2
SCHEMBL2859557 0.90 PDE3B (0.38) PDE3BPDE3AP2RY12MLYCDCYSLTR2
SCHEMBL2866243 0.88 PDE3B (0.39) PDE3BPDE3AP2RY12MLYCDTMPRSS15
SCHEMBL2863097 0.87 MLYCD (0.45) PDE3BPDE3AP2RY12MLYCDCACNA1B
SCHEMBL2866438 0.87 CA2 (0.37) PDE3BPDE3AP2RY12MLYCDTMPRSS15
SCHEMBL2867639 0.86 EPHX2 (0.41) MLYCD
SCHEMBL3403725 0.86 PDE3B (0.35) PDE3BPDE3AP2RY12MLYCDCACNA1B
SCHEMBL2857234 0.85 MLYCD (0.39) PDE3BPDE3AP2RY12MLYCDCYSLTR2
SCHEMBL2860761 0.84 PDE3B (0.36) PDE3BPDE3AP2RY12MLYCDTMPRSS15
SCHEMBL2857711 0.83 TMPRSS15 (0.38) CACNA1BCACNA1HTMPRSS15CYP3A4SCN9A

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-1370260-B1 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-24 EP claimed
US-7709510-B2 Azoles as malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-04 US 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 PDE3B 1953/4885PDE3A 2151/4885P2RY12 4835/4885

“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.