SCHEMBL18337679

SCHEMBL18337679

CSc1nc2c(=O)n(C3CC3)c(-c3nc(C)no3)nc2s1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 7/20 0.38
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
PIK3CG P48736 3/20 0.32
GRM1 Q13255 1/20 0.31
PIK3CD O00329 3/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
OPRK1 P41145 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MGLL Q99685 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
SCHEMBL18337393 0.94 AADAT (0.37) AADATGABRG2GABRB3GABRA5GABRA3
SCHEMBL18337120 0.82 AADAT (0.45) AADATGABRG2GABRB3GABRA5GABRA3
SCHEMBL18336439 0.80 AADAT (0.37) AADATPIK3CGPIK3CD
SCHEMBL18336680 0.79 AADAT (0.34) AADATGABRG2GABRB3GABRA5GABRA3
SCHEMBL18336952 0.79 AADAT (0.37) AADATGABRG2GABRB3GABRA5GABRA3
SCHEMBL18336180 0.79 AADAT (0.38) AADATIKBKBCHUKGRM1MEN1
SCHEMBL18335900 0.76 AADAT (0.49) AADATGABRG2GABRB3GABRA5GABRA3
SCHEMBL18337130 0.75 AADAT (0.35) AADATGABRG2GABRB3GABRA5GABRA3
SCHEMBL18335980 0.75 AADAT (0.36) AADATPIK3CGPIK3CDOPRK1
SCHEMBL18336339 0.74 GAA (0.42) AADATIKBKBCHUKGRM1MEN1

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 3986/4885GABRG2 2483/4885GABRB3 1107/4885
US-10065972-B2 Bicyclic or tricyclic heterocyclic compound CBR3, CBR1, CYCS AADAT 4071/4885GABRG2 2187/4885GABRB3 1014/4885

“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.