SCHEMBL3436841

SCHEMBL3436841

COC(=O)N(C)c1c(N)nc(-c2cc(-c3ccsc3)n(Cc3ccccc3F)n2)nc1N

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.56
ADORA3 P0DMS8 1/20 0.56
GUCY1A1 Q02108 18/20 0.49
GUCY1B1 Q02153 18/20 0.49
GUCY1B2 O75343 5/20 0.42
GUCY1A2 P33402 5/20 0.42
SLC16A3 O15427 1/20 0.40
SLC16A1 P53985 1/20 0.40
MCTS1 Q9ULC4 1/20 0.40
OPRK1 P41145 1/20 0.39

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
SCHEMBL3437467 0.90 KCNH2 (0.61) KCNH2ADORA3GUCY1A1GUCY1B1GUCY1B2
SCHEMBL19513351 0.89 KCNH2 (0.43) KCNH2ADORA3GUCY1A1GUCY1B1GUCY1B2
SCHEMBL3437390 0.85 GUCY1A1 (0.43) KCNH2ADORA3GUCY1A1GUCY1B1GUCY1B2
SCHEMBL3437446 0.84 KCNH2 (0.65) KCNH2ADORA3GUCY1A1GUCY1B1GUCY1B2
SCHEMBL16081967 0.83 GUCY1B2 (0.63) KCNH2ADORA3GUCY1A1GUCY1B1GUCY1B2
SCHEMBL10323526 0.82 KCNH2 (0.59) KCNH2ADORA3GUCY1A1GUCY1B1GUCY1B2
SCHEMBL3437516 0.81 KCNH2 (0.49) KCNH2ADORA3GUCY1A1GUCY1B1GUCY1B2
SCHEMBL21565179 0.80 GUCY1B2 (0.43) KCNH2ADORA3GUCY1A1GUCY1B1GUCY1B2
SCHEMBL19513159 0.79 KCNH2 (0.47) KCNH2ADORA3GUCY1A1GUCY1B1GUCY1B2
SCHEMBL18404829 0.76 KCNH2 (0.54) KCNH2ADORA3GUCY1A1GUCY1B1GUCY1B2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190345130-A1 SGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2019-11-14 US disclosed
US-10189809-B2 SGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2019-01-29 US disclosed
US-20170305878-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-10-26 US disclosed
US-20170305878-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-10-26 US disclosed
EP-3173407-A1 SGC STIMULATORS Ironwood Pharmaceuticals, Inc. (US) 2017-05-31 EP disclosed
EP-2588465-B1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS INC (US) 2017-01-25 EP disclosed
US-20140323448-A1 sGC STIMULATORS Ironwood Pharmaceuticals Inc. (US) 2014-10-30 US disclosed
US-20140323448-A1 sGC STIMULATORS Ironwood Pharmaceuticals Inc. (US) 2014-10-30 US disclosed
US-8748442-B2 sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2014-06-10 US disclosed
US-8748442-B2 sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2014-06-10 US disclosed
US-20120184516-A1 sGC Stimulators CYCLERION THERAPEUTICS, INC. 2012-07-19 US disclosed
WO-2012003405-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-01-05 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 (5 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-20140323448-A1 sGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 KCNH2 2088/4885ADORA3 2877/4885GUCY1A1 1/4885
US-20120184516-A1 sGC Stimulators GUCY1A1, PTGIS, GUCY1B1 KCNH2 2088/4885ADORA3 2877/4885GUCY1A1 1/4885
US-20170305878-A1 sGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 KCNH2 2088/4885ADORA3 2877/4885GUCY1A1 1/4885
US-10189809-B2 SGC stimulators GUCY1A1, PTGIS, GUCY1B1 KCNH2 2088/4885ADORA3 2877/4885GUCY1A1 1/4885
US-20190345130-A1 SGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 KCNH2 2088/4885ADORA3 2877/4885GUCY1A1 1/4885

“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.