SCHEMBL20239335

SCHEMBL20239335

CCc1cnc(NCc2cc(NCc3ccc(OC)cc3)nc(Oc3ccc(CC(C)N)cc3)c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.43
ACACB O00763 1/20 0.40
VNN1 O95497 6/20 0.40
HDAC6 Q9UBN7 1/20 0.39
CLK4 Q9HAZ1 2/20 0.38
DYRK1A Q13627 1/20 0.38
PTGDR Q13258 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
MAP2K7 O14733 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
PDE2A O00408 1/20 0.37

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
SCHEMBL20239323 0.91 SLC6A4 (0.43) SLC6A4ACACBVNN1HDAC6CLK4
SCHEMBL20239291 0.87 ACACB (0.42) ACACBVNN1HDAC6NPC1RAB9A
SCHEMBL20239213 0.87 TAAR1 (0.41) VNN1HDAC6CLK4DYRK1APTGDR
SCHEMBL20239155 0.86 ACACB (0.51) ACACBVNN1MAP2K7
SCHEMBL20239218 0.84 DGAT2 (0.47) VNN1HDAC6CLK4NPC1RAB9A
SCHEMBL20259113 0.82 ACACB (0.47) ACACBVNN1MAP2K7
SCHEMBL20472855 0.82 GPR39 (0.44) VNN1CLK4NPC1RAB9AKMT2A
SCHEMBL20239342 0.81 CA12 (0.50) VNN1PTGDRNPC1RAB9AKMT2A
SCHEMBL20239251 0.80 VNN1 (0.44) VNN1HDAC6KMT2AMAP2K7
SCHEMBL20239143 0.77 VNN1 (0.44) VNN1HDAC6CLK4DYRK1ANPC1

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
EP-3298001-B1 DGAT2 INHIBITORS LILLY CO ELI (US) 2020-05-13 EP disclosed
US-10053429-B2 DGAT2 inhibitors ELI LILLY AND COMPANY (US) 2018-08-21 US disclosed
US-20180162825-A1 NOVEL DGAT2 INHIBITORS ELI LILY AND COMPANY (US) 2018-06-14 US disclosed
US-20180162825-A1 NOVEL DGAT2 INHIBITORS ELI LILY AND COMPANY (US) 2018-06-14 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-20180162825-A1 NOVEL DGAT2 INHIBITORS DGAT2, DGAT1, LCAT SLC6A4 1358/4885ACACB 152/4885VNN1 3148/4885
US-10053429-B2 DGAT2 inhibitors DGAT2, DGAT1, LCAT SLC6A4 1459/4885ACACB 152/4885VNN1 3615/4885

“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.