SCHEMBL21787225

SCHEMBL21787225

Cc1n[nH]c(-c2nn(Cc3ccccc3)c3ncccc23)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
PDE5A O76074 4/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL21787238 0.92 L3MBTL1 (0.49) L3MBTL1PTGDR2PDE5AMEN1KMT2A
SCHEMBL21787236 0.90 L3MBTL1 (0.47) L3MBTL1PDE5ACYP1A2CYP2C19AURKA
SCHEMBL20140411 0.90 L3MBTL1 (0.46) L3MBTL1PDE5A
SCHEMBL24205908 0.88 L3MBTL1 (0.44) L3MBTL1PTGDR2PDE5AGUCY1A1GUCY1B1
SCHEMBL21787195 0.88 L3MBTL1 (0.44) L3MBTL1PDE5AAURKAGUCY1A1GUCY1B1
SCHEMBL21787380 0.88 L3MBTL1 (0.44) L3MBTL1PTGDR2PDE5AAURKA
SCHEMBL21787287 0.87 L3MBTL1 (0.45) L3MBTL1PDE5AMEN1KMT2AALDH1A1
SCHEMBL20140309 0.84 PDE5A (0.55) PDE5A
SCHEMBL24040769 0.84 PDE5A (0.44) L3MBTL1PDE5A
SCHEMBL20161255 0.83 L3MBTL1 (0.41) L3MBTL1PDE5AP2RX7AURKAGUCY1A1

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 4698/4885PDE4A 17/4885PDE4B 21/4885
US-11180493-B2 SGC stimulators GUCY1A2, GMPS, PDE2A L3MBTL1 4698/4885PDE4A 17/4885PDE4B 21/4885

“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.