SCHEMBL20161090

SCHEMBL20161090

Cc1ncc(Cn2nc(-c3nc(C(F)(F)F)n[nH]3)c3ccccc32)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.39
BUB1 O43683 9/20 0.37
CYP1A2 P05177 5/20 0.37
CYP2D6 P10635 5/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
ACHE P22303 1/20 0.36
CYP3A4 P08684 2/20 0.35
SCN8A Q9UQD0 1/20 0.35
F2RL3 Q96RI0 1/20 0.35
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
GMNN O75496 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL20161087 0.87 PDE5A (0.38) PDE5AGRIN1GRIN2BGUCY1A1GUCY1B1
SCHEMBL20161098 0.86 PDE5A (0.35) PDE5AGRIN1GRIN2BGUCY1A1GUCY1B1
SCHEMBL20148909 0.86 L3MBTL1 (0.41) PDE5AGRIN1GRIN2B
SCHEMBL20161100 0.86 GRIN1 (0.35) GRIN1GRIN2B
SCHEMBL20140442 0.84 ESR1 (0.41) BUB1GRIN1GRIN2BSMN1; SMN2
SCHEMBL21787171 0.82 GRIN1 (0.32) PDE5AGRIN1GRIN2B
SCHEMBL24205968 0.78 PDE5A (0.38) PDE5ABUB1GUCY1A1GUCY1B1
SCHEMBL20161154 0.74 L3MBTL1 (0.50) PDE5ACYP1A2CYP2D6CYP3A4KDM4E
SCHEMBL20161103 0.74 PDE5A (0.40) PDE5ABUB1GRIN1GRIN2BGUCY1A1
SCHEMBL20161279 0.74 L3MBTL1 (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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12435080-B2 sGC stimulators TISENTO THERAPEUTICS INC. (US) 2025-10-07 US disclosed
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-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
US-20200071318-A1 SGC STIMULATORS TISENTO THERAPEUTICS INC. 2020-03-05 US disclosed
WO-2018111795-A2 USE OF SGC STIMULATORS FOR THE TREATMENT OF ESOPHAGEAL MOTILITY DISORDERS IRONWOOD PHARMACEUTICALS, INC. (US) 2018-06-21 WO 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 (4 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 12/4885BUB1 4677/4885CYP1A2 1927/4885
US-20220017515-A1 sGC STIMULATORS GUCY1A2, PRKG1, PDE2A PDE5A 12/4885BUB1 4675/4885CYP1A2 2080/4885
US-12435080-B2 sGC stimulators GUCY1A2, PRKG1, PDE2A PDE5A 12/4885BUB1 4675/4885CYP1A2 2080/4885
US-11180493-B2 SGC stimulators GUCY1A2, GMPS, PDE2A PDE5A 12/4885BUB1 4677/4885CYP1A2 1927/4885

“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.