SCHEMBL18337189

SCHEMBL18337189

CSc1nc2c(=O)n(C)c(C3(Cl)CC3)nc2s1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
GRM1 Q13255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TOP2A P11388 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
SCHEMBL18336690 0.84 AADAT (0.41) IKBKBCHUKGRM1ALDH1A1
SCHEMBL18337005 0.84 IKBKB (0.35) IKBKBCHUKGRM1ALDH1A1
SCHEMBL18337616 0.82 IKBKB (0.34) IKBKBCHUKGRM1
SCHEMBL18337532 0.80 IKBKB (0.33) IKBKBCHUKALDH1A1
SCHEMBL18336970 0.79 AADAT (0.42) IKBKBCHUKALDH1A1
SCHEMBL18337650 0.79 AADAT (0.42) IKBKBCHUKALDH1A1
SCHEMBL18336924 0.79 IKBKB (0.39) IKBKBCHUKGRM1ALDH1A1TOP2A
SCHEMBL18337702 0.77 IKBKB (0.40) IKBKBCHUKGRM1ALDH1A1TOP2A
SCHEMBL18337030 0.74 AADAT (0.39) IKBKBCHUKGRM1ALDH1A1
SCHEMBL18335943 0.74 AADAT (0.39) IKBKBCHUKGRM1ALDH1A1

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 IKBKB 3644/4885CHUK 1747/4885GRM1 713/4885
US-10065972-B2 Bicyclic or tricyclic heterocyclic compound CBR3, CBR1, CYCS IKBKB 3454/4885CHUK 1597/4885GRM1 659/4885

“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.