SCHEMBL20161117

SCHEMBL20161117

Fc1ccccc1Cn1nc(-c2nc(C(F)(F)F)n[nH]2)c2ccncc21

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 20/20 0.43

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
SCHEMBL20140290 0.93 BUB1 (0.43) BUB1
SCHEMBL21787223 0.86 BUB1 (0.44) BUB1
SCHEMBL20140208 0.82 PDE5A (0.42)
SCHEMBL20148908 0.81 PDE5A (0.51)
SCHEMBL20140424 0.81 RORC (0.42) BUB1
SCHEMBL21787267 0.80 BUB1 (0.44) BUB1
SCHEMBL20140421 0.79 PDE5A (0.51)
SCHEMBL20139737 0.78 PDE5A (0.45)
SCHEMBL20140194 0.78 PDE5A (0.40)
SCHEMBL20140438 0.74 PDE5A (0.51)

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 5 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-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 (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 BUB1 4677/4885
US-20220017515-A1 sGC STIMULATORS GUCY1A2, PRKG1, PDE2A BUB1 4675/4885
US-11180493-B2 SGC stimulators GUCY1A2, GMPS, PDE2A BUB1 4677/4885

“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.