SCHEMBL18337682

SCHEMBL18337682

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
KMT2A Q03164 1/20 0.32
AADAT Q8N5Z0 4/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
ADORA3 P0DMS8 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
SCHEMBL18336830 0.85 AADAT (0.34) IKBKBCHUKAADAT
SCHEMBL18336512 0.78 AADAT (0.36) AADAT
SCHEMBL654867 0.78 MITF (0.39) ALDH1A1
SCHEMBL18335997 0.78 TOP2A (0.36) IKBKBCHUKKMT2AALDH1A1HPGD
SCHEMBL18336652 0.76 AADAT (0.35) AADAT
SCHEMBL18336268 0.75 IKBKB (0.36) L3MBTL1IKBKBCHUKAADATADORA3
SCHEMBL18336191 0.68 AADAT (0.44) AADAT
SCHEMBL18336935 0.68 IRAK4 (0.33) IKBKBCHUKAADAT
SCHEMBL18701514 0.68 SPR (0.36) L3MBTL1IKBKBKMT2A
SCHEMBL18336145 0.68 AADAT (0.42) AADATADORA3

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 L3MBTL1 3007/4885IKBKB 3644/4885CHUK 1747/4885
US-10065972-B2 Bicyclic or tricyclic heterocyclic compound CBR3, CBR1, CYCS L3MBTL1 2635/4885IKBKB 3454/4885CHUK 1597/4885

“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.