SCHEMBL20161100

SCHEMBL20161100

Cc1ncc(Cn2nc(-c3nc(C(F)(F)F)n[nH]3)c3ncccc32)cn1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.35
GRIN2B Q13224 3/20 0.35
RORC P51449 12/20 0.35
TLR7 Q9NYK1 1/20 0.32
GRM4 Q14833 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
SCHEMBL21787286 0.87 RORC (0.33) GRIN1GRIN2BRORC
SCHEMBL20161090 0.86 PDE5A (0.39) GRIN1GRIN2B
SCHEMBL20148909 0.84 L3MBTL1 (0.41) GRIN1GRIN2B
SCHEMBL20140424 0.81 RORC (0.42) RORC
SCHEMBL20161087 0.79 PDE5A (0.38) GRIN1GRIN2BTLR7
SCHEMBL20161098 0.78 PDE5A (0.35) GRIN1GRIN2BTLR7
SCHEMBL20140442 0.77 ESR1 (0.41) GRIN1GRIN2B
SCHEMBL21787171 0.76 GRIN1 (0.32) GRIN1GRIN2BTLR7
SCHEMBL20161279 0.73 L3MBTL1 (0.37) GRIN1GRIN2B
SCHEMBL20139619 0.73 L3MBTL1 (0.45)

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
US-20220017515-A1 sGC STIMULATORS TISENTO THERAPEUTICS INC. 2022-01-20 US disclosed
US-11180493-B2 SGC stimulators CYCLERION THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
US-20200071318-A1 SGC STIMULATORS TISENTO THERAPEUTICS INC. 2020-03-05 US disclosed
WO-2018111795-A2 USE OF SGC STIMULATORS FOR THE TREATMENT OF ESOPHAGEAL MOTILITY DISORDERS IRONWOOD PHARMACEUTICALS, INC. (US) 2018-06-21 WO disclosed
WO-2018089330-A2 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-17 WO 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 (3 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-20200071318-A1 SGC STIMULATORS GUCY1A2, GMPS, PDE2A GRIN1 1566/4885GRIN2B 1470/4885RORC 1918/4885
US-20220017515-A1 sGC STIMULATORS GUCY1A2, PRKG1, PDE2A GRIN1 1488/4885GRIN2B 1483/4885RORC 1925/4885
US-11180493-B2 SGC stimulators GUCY1A2, GMPS, PDE2A GRIN1 1566/4885GRIN2B 1470/4885RORC 1918/4885

“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.