SCHEMBL17486157

SCHEMBL17486157

Fc1cc(-c2nc(-c3ccccc3)nc(N(c3ccccc3)c3ccccc3)n2)cnc1-c1ccc2c(c1)C1CCC2C1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.33
ABCG2 Q9UNQ0 1/20 0.31
FEN1 P39748 2/20 0.31
ALOX5AP P20292 1/20 0.31
DPP4 P27487 1/20 0.30

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
SCHEMBL20805515 0.87 CYP11B1 (0.35) FEN1ALOX5APDPP4
SCHEMBL17486185 0.86 CYP11B1 (0.35) FEN1ALOX5AP
SCHEMBL17486112 0.85 ADORA2A (0.31) PTGDR2
SCHEMBL17486052 0.75 DHODH (0.35)
SCHEMBL17486345 0.73
SCHEMBL17485992 0.73 MEN1 (0.40)
SCHEMBL17486170 0.71 SIGMAR1 (0.39)
SCHEMBL17486224 0.70 KDM1A (0.35)
SCHEMBL19295168 0.70 PPARA (0.33)
SCHEMBL22202302 0.69 SIGMAR1 (0.39)

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
EP-3174890-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-03-13 EP disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
WO-2016015815-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-02-04 WO 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-20170250353-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 PTGDR2 4669/4885ABCG2 4692/4885FEN1 1438/4885

“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.