SCHEMBL17486254

SCHEMBL17486254

Cc1nc(C)nc(-c2ccc(-c3cnc(-c4ccc5c(c4)C(C)(C)C(C)(C)C5(C)C)c(OCCc4ccccc4)c3)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 11/20 0.36
CYP11B2 P19099 11/20 0.36
CYP19A1 P11511 2/20 0.34
PDE4A P27815 3/20 0.33
PDE4B Q07343 3/20 0.33
PDE4C Q08493 3/20 0.33
PDE4D Q08499 3/20 0.33
PIK3CD O00329 4/20 0.33
MAP4K4 O95819 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PIK3R1 P27986 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
SCHEMBL17486256 0.85 CYP11B1 (0.35) CYP11B1CYP11B2CYP19A1PDE4APDE4B
SCHEMBL17486280 0.82 HTR2C (0.43) CYP11B1CYP11B2CYP19A1
SCHEMBL17486129 0.81 L3MBTL1 (0.40) PIK3CDL3MBTL1
SCHEMBL17486164 0.79 PDGFRB (0.33) L3MBTL1
SCHEMBL17485976 0.77 DGAT1 (0.45) CYP11B1CYP11B2CYP19A1
SCHEMBL17486132 0.76 ALDH1A1 (0.40) PIK3CDL3MBTL1
SCHEMBL17486255 0.75 GRM2 (0.35) CYP11B1CYP11B2PDE4APDE4BPDE4C
SCHEMBL17485974 0.73 HSD17B1 (0.37) L3MBTL1
SCHEMBL17486178 0.72 L3MBTL1 (0.47) CYP11B1CYP11B2L3MBTL1
SCHEMBL19295129 0.71 CYP11B1 (0.33) CYP11B1CYP11B2PIK3CDL3MBTL1

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 CYP11B1 2725/4885CYP11B2 2183/4885CYP19A1 4412/4885

“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.