SCHEMBL17486133

SCHEMBL17486133

COc1cc(-c2nc(C(C)(C)C)cc(C(C)(C)C)n2)cnc1-c1ccc2c(c1)C(C)(C)OC2(C)C

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.31
PDGFRB P09619 2/20 0.31
PDGFRA P16234 2/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
GCK P35557 1/20 0.30
GCKR Q14397 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
SCHEMBL20805761 0.84 JAK3 (0.33)
SCHEMBL17486161 0.84 FEN1 (0.34)
SCHEMBL17486288 0.77 DYRK1B (0.34) TDO2POLBL3MBTL1KDM4E
SCHEMBL17486188 0.73 PSEN1 (0.41) POLBKDM4EHPGDTSHRHSD17B10
SCHEMBL17486203 0.72 DGAT1 (0.37) PDGFRB
SCHEMBL17486256 0.70 CYP11B1 (0.35) L3MBTL1
SCHEMBL17486132 0.70 ALDH1A1 (0.40) PDGFRBPDGFRAPOLBL3MBTL1KDM4E
SCHEMBL17486108 0.68 FEN1 (0.41) PDGFRBL3MBTL1KDM4EHPGD
SCHEMBL17486255 0.68 GRM2 (0.35) L3MBTL1
SCHEMBL17486129 0.67 L3MBTL1 (0.40) PDGFRBPDGFRAL3MBTL1KDM4ECYP1A2

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 TDO2 2590/4885PDGFRB 4861/4885PDGFRA 4783/4885

“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.