SCHEMBL17486113

SCHEMBL17486113

CN(C)c1nc(-c2ccccc2)nc(-c2ccc(-c3ccc4c(c3)OC(C)(C)O4)nc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
ADORA2A P29274 3/20 0.36
ADORA1 P30542 3/20 0.36
LMNA P02545 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL17486156 0.86 S1PR1 (0.33) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL17486270 0.80 MEN1 (0.38) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL17486331 0.79 RARB (0.37) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL17486144 0.74 MEN1 (0.32) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL20805726 0.71 CCR1 (0.46) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL17486341 0.71 MEN1 (0.39) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL17486208 0.70 MEN1 (0.34) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL17486272 0.70 KIF11 (0.40) MAPTSMN1; SMN2KDM4ENPC1POLB
SCHEMBL22197106 0.70 MEN1 (0.55) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL17486275 0.70 SMN1; SMN2 (0.36) MAPTSMN1; SMN2TSHRNPSR1

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 MEN1 989/4885KMT2A 2922/4885MAPT 1084/4885

“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.