SCHEMBL20161103

SCHEMBL20161103

Cc1ncc(Cn2nc(-c3nc(C)n[nH]3)c3ccc(F)cc32)cn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.40
GRIN1 Q05586 3/20 0.33
GRIN2B Q13224 3/20 0.33
GRM2 Q14416 1/20 0.32
GUCY1A1 Q02108 5/20 0.32
GUCY1B1 Q02153 5/20 0.32
ADORA2A P29274 1/20 0.32
BUB1 O43683 2/20 0.32
SYK P43405 3/20 0.32
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL24205974 0.95 PDE5A (0.40) PDE5AGRIN1GRIN2BGRM2GUCY1A1
SCHEMBL20161087 0.89 PDE5A (0.38) PDE5AGRIN1GRIN2BGUCY1A1GUCY1B1
SCHEMBL24205854 0.87 PDE5A (0.37) PDE5AGRIN1GRIN2BGUCY1A1GUCY1B1
SCHEMBL24205968 0.80 PDE5A (0.38) PDE5AGUCY1A1GUCY1B1ADORA2ABUB1
SCHEMBL20161098 0.78 PDE5A (0.35) PDE5AGRIN1GRIN2BGRM2GUCY1A1
SCHEMBL20140411 0.76 L3MBTL1 (0.46) PDE5A
SCHEMBL21787286 0.76 RORC (0.33) PDE5AGRIN1GRIN2B
SCHEMBL20161090 0.74 PDE5A (0.39) PDE5AGRIN1GRIN2BGUCY1A1GUCY1B1
SCHEMBL21787192 0.74 ESR1 (0.46) PDE5AGRIN1GRIN2BMEN1KMT2A
SCHEMBL20139770 0.74 PDE5A (0.37) PDE5AGRIN1GRIN2B

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 12/4885GRIN1 1566/4885GRIN2B 1470/4885
US-20220017515-A1 sGC STIMULATORS GUCY1A2, PRKG1, PDE2A PDE5A 12/4885GRIN1 1488/4885GRIN2B 1483/4885
US-11180493-B2 SGC stimulators GUCY1A2, GMPS, PDE2A PDE5A 12/4885GRIN1 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.