SCHEMBL21787192

SCHEMBL21787192

Cc1ncc(Cn2nc(-c3nc(C)n[nH]3)c3cccc(Cl)c32)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.46
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MERTK Q12866 2/20 0.32
PDE5A O76074 1/20 0.32
SLC22A12 Q96S37 3/20 0.31
MEN1 O00255 1/20 0.31
PPARG P37231 1/20 0.31
KMT2A Q03164 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL20140442 0.88 ESR1 (0.41) ESR1GRIN1GRIN2BCCR9
SCHEMBL20140411 0.80 L3MBTL1 (0.46) L3MBTL1PDE5A
SCHEMBL24205854 0.78 PDE5A (0.37) GRIN1GRIN2BPDE5ASLC22A12LMNA
SCHEMBL21787225 0.74 L3MBTL1 (0.60) L3MBTL1ALDH1A1PDE4APDE4BPDE4C
SCHEMBL20161103 0.74 PDE5A (0.40) GRIN1GRIN2BPDE5AMEN1KMT2A
SCHEMBL20140201 0.74 ESR1 (0.42) ESR1GRIN1GRIN2BL3MBTL1ALDH1A1
SCHEMBL21787286 0.73 RORC (0.33) GRIN1GRIN2BL3MBTL1PDE4APDE4B
SCHEMBL21787380 0.72 L3MBTL1 (0.44) L3MBTL1PDE5A
SCHEMBL24205908 0.72 L3MBTL1 (0.44) L3MBTL1PDE5ALMNA
SCHEMBL21787238 0.71 L3MBTL1 (0.49) L3MBTL1ALDH1A1NPSR1PDE5AMEN1

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 ESR1 4348/4885GRIN1 1566/4885GRIN2B 1470/4885
US-11180493-B2 SGC stimulators GUCY1A2, GMPS, PDE2A ESR1 4348/4885GRIN1 1566/4885GRIN2B 1470/4885

“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.