SCHEMBL1344656

SCHEMBL1344656

CC(=O)Nc1cc(Cc2sccc2-c2nnc(Nc3ccccc3)o2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.44
GSK3A P49840 2/20 0.44
AURKA O14965 1/20 0.44
PDCD1 Q15116 10/20 0.42
CD274 Q9NZQ7 10/20 0.42
PIP5K1C O60331 1/20 0.41
PIK3CA P42336 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
KDR P35968 3/20 0.39
FLT1 P17948 2/20 0.39
NR3C2 P08235 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL1346528 0.91 CA12 (0.39) GSK3BGSK3AAURKAPDCD1CD274
SCHEMBL1346626 0.89 KDR (0.50) PDCD1CD274KDM4EKDRFLT1
SCHEMBL1347405 0.87 FLT1 (0.47) GSK3BKDRFLT1
SCHEMBL1344932 0.83 GSK3B (0.41) GSK3BPDCD1CD274KDM4EKDR
SCHEMBL1344909 0.83 PIP5K1C (0.41) GSK3BGSK3AAURKAPIP5K1CPIK3CA
SCHEMBL1346424 0.83 KDR (0.38) GSK3BPDCD1CD274KDM4EKDR
SCHEMBL1346455 0.80 AURKA (0.42) GSK3BGSK3AAURKAPDCD1CD274
SCHEMBL1344913 0.80 KDR (0.50) GSK3BKDM4EKDRFLT1RAB9A
SCHEMBL1346699 0.80 GSK3B (0.50) GSK3BGSK3AAURKAPDCD1CD274
SCHEMBL1345025 0.80 PDCD1 (0.45) GSK3BGSK3AAURKAPDCD1CD274

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063034-B2 Oxadiazole derivatives and thiadiazole derivatives having neovascularization inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-11-22 US claimed
US-20100016354-A1 NOVEL OXADIAZOLE DERIVATIVES AND THIADIAZOLE DERIVATIVES HAVING NEOVASCULARIZATION INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US claimed
EP-2128156-A1 NOVEL OXADIAZOLE DERIVATIVES AND THIADIAZOLE DERIVATIVES HAVING NEOVASCULARIZATION INHIBITING ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2009-12-02 EP claimed
US-8063034-B2 Oxadiazole derivatives and thiadiazole derivatives having neovascularization inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-11-22 US disclosed
US-20100016354-A1 NOVEL OXADIAZOLE DERIVATIVES AND THIADIAZOLE DERIVATIVES HAVING NEOVASCULARIZATION INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128156-A1 NOVEL OXADIAZOLE DERIVATIVES AND THIADIAZOLE DERIVATIVES HAVING NEOVASCULARIZATION INHIBITING ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2009-12-02 EP 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-20100016354-A1 NOVEL OXADIAZOLE DERIVATIVES AND THIADIAZOLE DERIVATIVES HAVING NEOVASCULARIZATION INHIBITORY ACTIVITY FLT4, VEGFA, FLT1 GSK3B 1285/4885GSK3A 1826/4885AURKA 3203/4885

“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.