SCHEMBL20161168

SCHEMBL20161168

Fc1ccccc1Cn1nc(-c2nc(C(F)(F)C(F)(F)F)n[nH]2)c2cccnc21

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.51
ADORA3 P0DMS8 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL20148908 0.92 PDE5A (0.51) PDE5AADORA3KCNH2
SCHEMBL20140438 0.91 PDE5A (0.51) PDE5AADORA3KCNH2
SCHEMBL20141472 0.90 PDE5A (0.50) PDE5AADORA3KCNH2
SCHEMBL21787395 0.89 PDE5A (0.49) PDE5AADORA3KCNH2
SCHEMBL20140423 0.89 PDE5A (0.51) PDE5AADORA3KCNH2
SCHEMBL20140349 0.87 PDE5A (0.49) PDE5AADORA3KCNH2
SCHEMBL20140385 0.86 PDE5A (0.52) PDE5AADORA3KCNH2
SCHEMBL20140216 0.84 PDE5A (0.50) PDE5AADORA3KCNH2
SCHEMBL20139584 0.84 PDE5A (0.44) PDE5AADORA3KCNH2
SCHEMBL20140214 0.84 PDE5A (0.51) PDE5AADORA3KCNH2

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 4 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-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 PDE5A 12/4885ADORA3 1006/4885KCNH2 3135/4885
US-20220017515-A1 sGC STIMULATORS GUCY1A2, PRKG1, PDE2A PDE5A 12/4885ADORA3 1072/4885KCNH2 3222/4885
US-11180493-B2 SGC stimulators GUCY1A2, GMPS, PDE2A PDE5A 12/4885ADORA3 1006/4885KCNH2 3135/4885

“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.