SCHEMBL3436852

SCHEMBL3436852

Cc1ccc(-c2cc(-c3ncccn3)nn2Cc2ccccc2F)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 15/20 0.52
GUCY1A2 P33402 15/20 0.52
GUCY1A1 Q02108 15/20 0.52
GUCY1B1 Q02153 15/20 0.52
OPRK1 P41145 1/20 0.52
SLC16A3 O15427 1/20 0.45
SLC16A1 P53985 1/20 0.45
MCTS1 Q9ULC4 1/20 0.45
P2RY14 Q15391 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL3437381 0.90 GUCY1B2 (0.55) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3437372 0.89 SLC16A3 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3437531 0.88 GUCY1B2 (0.53) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3437468 0.87 TDP1 (0.54) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL18899257 0.86 MEN1 (0.59) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3436807 0.86 GUCY1B2 (0.58) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL21565255 0.85 GUCY1B2 (0.49) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3437376 0.83 GUCY1B2 (0.58) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3437155 0.83 GUCY1B2 (0.55) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3437369 0.82 GUCY1B2 (0.51) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1

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 13 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
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 GUCY1B2 6/4885GUCY1A2 4/4885GUCY1A1 1/4885
US-20120184516-A1 sGC Stimulators GUCY1A1, PTGIS, GUCY1B1 GUCY1B2 6/4885GUCY1A2 4/4885GUCY1A1 1/4885
US-20170305878-A1 sGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 GUCY1B2 6/4885GUCY1A2 4/4885GUCY1A1 1/4885
US-10189809-B2 SGC stimulators GUCY1A1, PTGIS, GUCY1B1 GUCY1B2 6/4885GUCY1A2 4/4885GUCY1A1 1/4885
US-20190345130-A1 SGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 GUCY1B2 6/4885GUCY1A2 4/4885GUCY1A1 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.