SCHEMBL21787380

SCHEMBL21787380

Cc1n[nH]c(-c2nn(Cc3cncnc3)c3ncccc23)n1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
PDE5A O76074 15/20 0.35
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL20140411 0.91 L3MBTL1 (0.46) L3MBTL1PDE5A
SCHEMBL21787225 0.88 L3MBTL1 (0.60) L3MBTL1PDE5AAURKAPTGDR2
SCHEMBL24205908 0.87 L3MBTL1 (0.44) L3MBTL1PDE5APTGDR2
SCHEMBL20161255 0.87 L3MBTL1 (0.41) L3MBTL1PDE5AAURKA
SCHEMBL21787238 0.87 L3MBTL1 (0.49) L3MBTL1PDE5APTGDR2
SCHEMBL21787236 0.85 L3MBTL1 (0.47) L3MBTL1PDE5AAURKAAURKB
SCHEMBL21787195 0.85 L3MBTL1 (0.44) L3MBTL1PDE5AAURKA
SCHEMBL20161279 0.84 L3MBTL1 (0.37) L3MBTL1PDE5A
SCHEMBL21787287 0.82 L3MBTL1 (0.45) L3MBTL1PDE5A
SCHEMBL24040769 0.81 PDE5A (0.44) L3MBTL1PDE5A

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-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 (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-20200071318-A1 SGC STIMULATORS GUCY1A2, GMPS, PDE2A L3MBTL1 4698/4885PDE5A 12/4885AURKA 4737/4885
US-11180493-B2 SGC stimulators GUCY1A2, GMPS, PDE2A L3MBTL1 4698/4885PDE5A 12/4885AURKA 4737/4885

“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.