SCHEMBL18337368

SCHEMBL18337368

CSc1nc2c(=O)n(C3CCOCC3)c(C)nc2s1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 3/20 0.47
MTOR P42345 5/20 0.33
AKT1 P31749 2/20 0.33
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
GAA P10253 2/20 0.32
ALOX15 P16050 1/20 0.32
PIK3CA P42336 4/20 0.32
PDE1A P54750 2/20 0.31
PDE1B Q01064 2/20 0.31
PDE1C Q14123 2/20 0.31
ALDH1A1 P00352 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL18336180 0.91 AADAT (0.38) AADATIKBKBCHUKGAAALOX15
SCHEMBL18336339 0.88 GAA (0.42) AADATIKBKBCHUKGAAALOX15
SCHEMBL18336917 0.84 AADAT (0.35) AADATIKBKBCHUK
SCHEMBL18336724 0.83 AADAT (0.41) AADATIKBKBCHUKPIK3CA
SCHEMBL18336883 0.83 AADAT (0.47) AADATIKBKBCHUK
SCHEMBL18337074 0.82 AADAT (0.49) AADATIKBKBCHUKPDE1APDE1B
SCHEMBL18337393 0.82 AADAT (0.37) AADATMTORAKT1IKBKBCHUK
SCHEMBL18338008 0.81 AADAT (0.39) AADATGAAALOX15ALDH1A1HSD17B10
SCHEMBL18337799 0.78 AADAT (0.46) AADATMTORAKT1JAK2JAK1
SCHEMBL18337771 0.77 AADAT (0.42) AADATPIK3CA

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-3683222-B1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2021-10-06 EP disclosed
EP-3683222-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2020-07-22 EP disclosed
US-10065972-B2 Bicyclic or tricyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-09-04 US disclosed
EP-3135674-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2017-03-01 EP disclosed
US-20160376289-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-12-29 US disclosed
US-20160376289-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-12-29 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-20160376289-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND CBR3, CBR1, CYCS AADAT 3986/4885MTOR 2393/4885AKT1 2681/4885
US-10065972-B2 Bicyclic or tricyclic heterocyclic compound CBR3, CBR1, CYCS AADAT 4071/4885MTOR 2728/4885AKT1 3022/4885

“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.