SCHEMBL4558946

SCHEMBL4558946

Fc1ccccc1Cn1nc(-c2cc(N3CCOCC3)ccn2)nc1-c1nccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 6/20 0.44
GUCY1A2 P33402 6/20 0.44
GUCY1A1 Q02108 6/20 0.44
GUCY1B1 Q02153 6/20 0.44
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2B P29275 1/20 0.40
STAT6 P42226 1/20 0.39
PIK3CA P42336 3/20 0.39
PIK3CD O00329 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 1/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
PIK3R2 O00459 4/20 0.38
CYP2A13 Q16696 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL4561715 0.83 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SIGMAR1
SCHEMBL5019580 0.82 ADORA2A (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ADORA2A
SCHEMBL4562647 0.82 ADORA2A (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ADORA2A
SCHEMBL5019689 0.80 ADORA2A (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ADORA2A
SCHEMBL5019563 0.79 ADORA2A (0.52) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ADORA2A
SCHEMBL4560192 0.79 ADORA2A (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ADORA2A
SCHEMBL5019595 0.77 ADORA2A (0.50) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ADORA2A
SCHEMBL5019566 0.77 ADORA2A (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ADORA2A
SCHEMBL5019575 0.76 ADORA2A (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ADORA2A
SCHEMBL5019647 0.76 ADORA2A (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170112845-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-04-27 US disclosed
US-20170112845-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-04-27 US disclosed
US-20170112845-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-04-27 US disclosed
EP-2637659-B1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS INC (US) 2016-05-18 EP disclosed
EP-2637659-B1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS INC (US) 2016-05-18 EP disclosed
US-20150250795-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2015-09-10 US disclosed
US-20150250795-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2015-09-10 US disclosed
US-20150250795-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2015-09-10 US disclosed
US-9061030-B2 sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2015-06-23 US disclosed
US-9061030-B2 sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2015-06-23 US disclosed
US-9061030-B2 sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2015-06-23 US disclosed
US-20140088071-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2014-03-27 US disclosed
US-20140088071-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2014-03-27 US disclosed
US-20140088071-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2014-03-27 US disclosed
EP-2637659-A1 SGC STIMULATORS Ironwood Pharmaceuticals, Inc. (US) 2013-09-18 EP disclosed
WO-2012064559-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed
WO-2012064559-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-05-18 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-20150250795-A1 sGC STIMULATORS PTGIS, GUCY1B1, GUCY1A1 GUCY1B2 9/4885GUCY1A2 4/4885GUCY1A1 3/4885
US-20140088071-A1 sGC STIMULATORS PTGIS, GUCY1B1, GUCY1A1 GUCY1B2 7/4885GUCY1A2 4/4885GUCY1A1 3/4885
US-20170112845-A1 sGC STIMULATORS PTGIS, GUCY1B1, GUCY1A1 GUCY1B2 9/4885GUCY1A2 4/4885GUCY1A1 3/4885

“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.