SCHEMBL17813487

SCHEMBL17813487

CC(C)c1cnc2c(n1)N(C)CCN2

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL17807789 0.83 JAK2 (0.32)
SCHEMBL17813469 0.80 MEN1 (0.44) MEN1RAB9AGFERKMT2ALRRK2
SCHEMBL18898720 0.72
SCHEMBL84926 0.70 NNMT (0.33)
SCHEMBL26141049 0.69 GRM5 (0.35)
SCHEMBL17807795 0.69 MTOR (0.50)
SCHEMBL15181316 0.67 NNMT (0.30)
SCHEMBL17807729 0.65 PIK3R1 (0.34)
SCHEMBL23507973 0.63 JAK2 (0.31)
SCHEMBL23889656 0.62 MEN1 (0.33) MEN1RAB9AGFERKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663520-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. 2016-06-09 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-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 MEN1 3226/4885RAB9A 3185/4885GFER 4843/4885

“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.