SCHEMBL19794493

SCHEMBL19794493

Cc1nc(C)nc(-c2ccc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6ccc(-c7nc(C)nc(C)n7)cn6)cc5)cc(-c5ccccc5-c5ccc(-c6ccc(-c7nc(C)nc(C)n7)cn6)cc5)c4)cc3)nc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
DHODH Q02127 1/20 0.35
LDHA P00338 1/20 0.35
HPGDS O60760 2/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
BAZ2B Q9UIF8 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FEN1 P39748 3/20 0.33
ALOX5AP P20292 2/20 0.33

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
SCHEMBL18015715 0.88 LMNA (0.38) L3MBTL1NPC1RAB9ADHODHLDHA
SCHEMBL12668242 0.85 L3MBTL1 (0.57) L3MBTL1NPC1RAB9ADHODHLDHA
SCHEMBL19794490 0.84 MEN1 (0.49) L3MBTL1NPC1RAB9ALDHAHPGDS
SCHEMBL18015617 0.84 MEN1 (0.49) L3MBTL1LDHAHPGDSMAOAMAOB
SCHEMBL18015531 0.82 ADORA2A (0.38) NPC1RAB9ALDHAHPGDSFEN1
SCHEMBL18538858 0.82 L3MBTL1 (0.62) L3MBTL1NPC1RAB9ADHODHLDHA
SCHEMBL19794502 0.82 MEN1 (0.42) NPC1RAB9ALDHAHPGDSHSD17B1
SCHEMBL19794511 0.82 FEN1 (0.38) L3MBTL1NPC1LDHAHPGDSHSD17B1
SCHEMBL16526829 0.81 L3MBTL1 (0.43) L3MBTL1NPC1RAB9ACYP3A4KDR
SCHEMBL21125581 0.81 MEN1 (0.49) NPC1RAB9ALDHAHPGDSHSD17B1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US 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 (2 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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC L3MBTL1 1661/4885NPC1 4039/4885RAB9A 2171/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 L3MBTL1 2863/4885NPC1 2761/4885RAB9A 1433/4885

“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.