SCHEMBL17486129

SCHEMBL17486129

COc1cc(-c2nc(C)nc(-c3ccccc3)n2)cnc1-c1ccc2c(c1)C(C)(C)C(C)(C)C2(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.40
ADORA1 P30542 2/20 0.38
ALDH1A1 P00352 4/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
KMT2A Q03164 3/20 0.36
WHR1 P49842 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HPGDS O60760 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
MEN1 O00255 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL17486132 0.96 ALDH1A1 (0.40) L3MBTL1ADORA1ALDH1A1GLAGAA
SCHEMBL17486254 0.81 CYP11B1 (0.36) L3MBTL1PIK3CD
SCHEMBL17486178 0.81 L3MBTL1 (0.47) L3MBTL1ALDH1A1GLAMAPTSMN1; SMN2
SCHEMBL17486328 0.79 PDGFRB (0.38) L3MBTL1ADORA1ALDH1A1GLAGAA
SCHEMBL17486204 0.78 PDGFRB (0.34) ADORA1ALDH1A1GAAMAPTPDGFRB
SCHEMBL17486164 0.76 PDGFRB (0.33) L3MBTL1PDGFRBPDGFRA
SCHEMBL17486227 0.75 HSD17B1 (0.41) L3MBTL1ADORA1ALDH1A1GLAMAPT
SCHEMBL17486283 0.74 IDO1 (0.35) L3MBTL1ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL17486244 0.74 HSD17B1 (0.40) L3MBTL1ADORA1ALDH1A1GLAMAPT
SCHEMBL17485975 0.74 HSD17B1 (0.43) L3MBTL1ALDH1A1GLAMAPTSMN1; SMN2

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 L3MBTL1 3160/4885ADORA1 4851/4885ALDH1A1 3721/4885

“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.