SCHEMBL2866243

SCHEMBL2866243

O=C(Oc1ccc(-c2nn[nH]n2)cc1)N(CCCCc1nn[nH]n1)c1ccc2nc(S)sc2c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
P2RY12 Q9H244 2/20 0.39
MLYCD O95822 1/20 0.37
ITK Q08881 1/20 0.36
TMPRSS15 P98073 2/20 0.34
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGDR2 Q9Y5Y4 5/20 0.33
SCN9A Q15858 2/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GRM2 Q14416 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
SCHEMBL2859557 0.90 PDE3B (0.38) PDE3BPDE3AP2RY12MLYCDTMPRSS15
SCHEMBL2867200 0.89 TMPRSS15 (0.42) PDE3BPDE3AP2RY12ITKTMPRSS15
SCHEMBL2863658 0.88 PDE3B (0.36) PDE3BPDE3AP2RY12MLYCDTMPRSS15
SCHEMBL2863097 0.88 MLYCD (0.45) PDE3BPDE3AP2RY12MLYCDTMPRSS15
SCHEMBL2860761 0.88 PDE3B (0.36) PDE3BPDE3AP2RY12MLYCDTMPRSS15
SCHEMBL2866438 0.87 CA2 (0.37) PDE3BPDE3AP2RY12MLYCDTMPRSS15
SCHEMBL2867049 0.87 PDE3B (0.35) PDE3BPDE3AP2RY12MLYCDTMPRSS15
SCHEMBL3406289 0.85 PDE3B (0.37) PDE3BPDE3AP2RY12MLYCDITK
SCHEMBL2870239 0.85 EPHX2 (0.41) PDE3BPDE3AP2RY12MLYCDHSD17B10
SCHEMBL2857234 0.85 MLYCD (0.39) PDE3BPDE3AP2RY12MLYCDTMPRSS15

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.