SCHEMBL17486134

SCHEMBL17486134

CN(C)c1nc(-c2ccccc2)nc(-c2cnc(-c3ccc4c(c3)C(C)(C)C(C)(C)C4(C)C)cc2C(F)(F)F)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CYP1A2 P05177 3/20 0.34
CYP2D6 P10635 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
CYP2C9 P11712 1/20 0.34
MET P08581 1/20 0.34
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
CYP11B2 P19099 1/20 0.33
ALOX15 P16050 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
S1PR1 P21453 5/20 0.33
S1PR3 Q99500 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MDM2 Q00987 1/20 0.32
ACP1 P24666 1/20 0.32

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
SCHEMBL17486270 0.83 MEN1 (0.38) L3MBTL1CYP1A2CYP2D6CLK4CYP2C9
SCHEMBL17486001 0.80 LDHA (0.34) L3MBTL1TSHRMEN1KMT2ALMNA
SCHEMBL17486189 0.78 CTSS (0.37) TDP1L3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL17486227 0.75 HSD17B1 (0.41) L3MBTL1MEN1KMT2ALMNAALDH1A1
SCHEMBL17486208 0.74 MEN1 (0.34) TSHRMEN1KMT2AALDH1A1IMPDH2
SCHEMBL17486275 0.74 SMN1; SMN2 (0.36) TSHR
SCHEMBL17485968 0.74 HSD17B1 (0.43) L3MBTL1MEN1KMT2ALMNAALDH1A1
SCHEMBL17485975 0.74 HSD17B1 (0.43) L3MBTL1MEN1KMT2ALMNAALDH1A1
SCHEMBL17486244 0.74 HSD17B1 (0.40) L3MBTL1MEN1KMT2ALMNAALDH1A1
SCHEMBL17486084 0.73 HSD17B1 (0.34) TDP1L3MBTL1MAPK1MEN1KMT2A

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 TDP1 3464/4885L3MBTL1 3160/4885CYP1A2 3647/4885

“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.