SCHEMBL18212218

SCHEMBL18212218

Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1-c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.58
▸ KCNH2 Q12809 1/20 0.58
▸ PDE5A O76074 10/20 0.56
▸ GUCY1A1 Q02108 8/20 0.51
▸ GUCY1B1 Q02153 8/20 0.51

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
Etriciguat SCHEMBL419874 0.94 ADORA3 (0.56) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
Etriciguat SCHEMBL29388720 0.94 ADORA3 (0.56) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL174189 0.88 ADORA3 (0.61) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL174830 0.87 ADORA3 (0.63) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL6068522 0.87 ADORA3 (0.49) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL27557251 0.86 ADORA3 (0.60) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL7835258 0.86 ADORA3 (0.65) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL16244821 0.85 ADORA3 (0.63) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL175343 0.85 ADORA3 (0.63) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL6215423 0.85 ADORA3 (0.53) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298055-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-10-19 — — US disclosed
US-20160324856-A1 USE OF SGC STIMULATORS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS CYCLERION THERAPEUTICS, INC. 2016-11-10 — — 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-20160324856-A1 USE OF SGC STIMULATORS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS SMN1; SMN2, PRKG1, GUCY1A2 ADORA3 3250/4885KCNH2 1074/4885PDE5A 12/4885
US-20170298055-A1 sGC STIMULATORS GUCY1B1, GUCY1A1, PRKG2 ADORA3 930/4885KCNH2 191/4885PDE5A 20/4885

“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.

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