SCHEMBL18337030

SCHEMBL18337030

CSc1nc2c(=O)n(C)c(C3CC3)nc2s1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 3/20 0.39
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
ADORA2A P29274 4/20 0.35
ADORA2B P29275 4/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
MGLL Q99685 1/20 0.32
GRM1 Q13255 1/20 0.32
PARG Q86W56 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL18337240 0.91 AADAT (0.45) AADATIKBKBCHUKADORA2AADORA2B
SCHEMBL18336987 0.86 AADAT (0.40) AADATIKBKBCHUKALDH1A1MAPT
SCHEMBL18335842 0.81 ALDH1A1 (0.35) AADATIKBKBCHUKALDH1A1MAPT
SCHEMBL18335863 0.81 AADAT (0.40) AADATADORA2AADORA2BPARGMEN1
SCHEMBL18337702 0.77 IKBKB (0.40) AADATIKBKBCHUKALDH1A1MAPT
SCHEMBL18336924 0.76 IKBKB (0.39) IKBKBCHUKALDH1A1GRM1KMT2A
SCHEMBL18336378 0.76 IKBKB (0.39) IKBKBCHUKALDH1A1GRM1
SCHEMBL18336078 0.75 AADAT (0.38) AADATIKBKBCHUKGRM1
SCHEMBL18337179 0.75 AADAT (0.38) AADATADORA2AADORA2BPARG
SCHEMBL18337189 0.74 IKBKB (0.36) IKBKBCHUKALDH1A1GRM1

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 3986/4885IKBKB 3644/4885CHUK 1747/4885
US-10065972-B2 Bicyclic or tricyclic heterocyclic compound CBR3, CBR1, CYCS AADAT 4071/4885IKBKB 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.