SCHEMBL21787286

SCHEMBL21787286

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

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 11/20 0.33
GABRA1 P14867 1/20 0.32
GABRA5 P31644 1/20 0.32
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
PDE4A P27815 2/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
PDE5A O76074 1/20 0.31
P2RX7 Q99572 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
SCHEMBL20161100 0.87 GRIN1 (0.35) RORCGRIN1GRIN2B
SCHEMBL20140411 0.82 L3MBTL1 (0.46) L3MBTL1PDE5A
SCHEMBL24206019 0.81 RORC (0.43) RORCPDE5A
SCHEMBL24205854 0.76 PDE5A (0.37) GRIN1GRIN2BSLC22A12PDE5A
SCHEMBL20161103 0.76 PDE5A (0.40) GRIN1GRIN2BPDE5A
SCHEMBL21787380 0.73 L3MBTL1 (0.44) L3MBTL1PDE5A
SCHEMBL24205908 0.73 L3MBTL1 (0.44) L3MBTL1PDE5A
SCHEMBL21787192 0.73 ESR1 (0.46) GRIN1GRIN2BPDE4APDE4BPDE4C
SCHEMBL20140478 0.72 ELANE (0.35) GABRA1GABRA5GRIN1GRIN2BPDE4A
SCHEMBL20161090 0.72 PDE5A (0.39) GRIN1GRIN2BPDE5A

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 3 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

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 RORC 1918/4885GABRA1 1733/4885GABRA5 1755/4885
US-20220017515-A1 sGC STIMULATORS GUCY1A2, PRKG1, PDE2A RORC 1925/4885GABRA1 1796/4885GABRA5 1863/4885
US-11180493-B2 SGC stimulators GUCY1A2, GMPS, PDE2A RORC 1918/4885GABRA1 1733/4885GABRA5 1755/4885

“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.