SCHEMBL20148205

SCHEMBL20148205

C=CON1CCN(c2cnc(C(N)=O)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
SIRT6 Q8N6T7 2/20 0.39
HDAC3 O15379 2/20 0.37
PARP1 P09874 7/20 0.37
EED O75530 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AOC3 Q16853 1/20 0.34
BTK Q06187 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
SCHEMBL5041190 0.79 HRH3 (0.50) HRH3SIRT6PARP1EEDAOC3
SCHEMBL20148201 0.78 HRH3 (0.47) HRH3SIRT6HDAC3PARP1EED
SCHEMBL29546455 0.77 HRH3 (0.49) HRH3SIRT6PARP1KMT2AAOC3
SCHEMBL5040368 0.75 KMO (0.51) HRH3SIRT6PARP1AOC3
SCHEMBL5042063 0.75 HDAC3 (0.51) HRH3SIRT6HDAC3
SCHEMBL29889648 0.75 KMO (0.51) HRH3SIRT6PARP1AOC3
SCHEMBL4426982 0.75 HRH3 (0.56) HRH3MEN1KMT2A
SCHEMBL20148200 0.74 POLB (0.41) HRH3HDAC3PARP1BTK
Hydrochloric Acid SCHEMBL4426185 0.74 HDAC3 (0.50) HRH3SIRT6HDAC3
SCHEMBL30588353 0.73 HRH3 (0.52) HRH3SIRT6PARP1EEDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134688-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-05-17 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 (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-20180134688-A1 NOVEL COMPOUNDS RIPK2, RIPK1, RIPK4 HRH3 3405/4885SIRT6 2014/4885HDAC3 811/4885

“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.