SCHEMBL18336830

SCHEMBL18336830

CSc1nc2c(=O)[nH]c(C(C)(C)C(F)(F)F)nc2s1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 5/20 0.34
TOP2A P11388 1/20 0.31
PIM1 P11309 1/20 0.31
IKBKB O14920 1/20 0.30
CHUK O15111 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
SCHEMBL18337682 0.85 L3MBTL1 (0.34) AADATIKBKBCHUK
SCHEMBL18336512 0.79 AADAT (0.36) AADAT
SCHEMBL18336622 0.78 IKBKB (0.34) AADATPIM1IKBKBCHUK
SCHEMBL18336652 0.77 AADAT (0.35) AADAT
SCHEMBL654867 0.73 MITF (0.39)
SCHEMBL18335997 0.73 TOP2A (0.36) TOP2AIKBKBCHUK
SCHEMBL18336145 0.70 AADAT (0.42) AADATPIM1
SCHEMBL18335742 0.65 IKBKB (0.36) AADATTOP2AIKBKBCHUK
SCHEMBL18336685 0.65 AADAT (0.39) AADATTOP2APIM1IKBKBCHUK
SCHEMBL18336790 0.65 AADAT (0.39) AADATTOP2AIKBKBCHUK

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 5 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

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 3986/4885TOP2A 3832/4885PIM1 4280/4885
US-10065972-B2 Bicyclic or tricyclic heterocyclic compound CBR3, CBR1, CYCS AADAT 4071/4885TOP2A 3717/4885PIM1 4500/4885

“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.