SCHEMBL3437029

SCHEMBL3437029

Fc1ccccc1Cn1nc(-c2ccccn2)cc1-c1cncs1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2B P29275 1/20 0.45
GUCY1B2 O75343 13/20 0.44
GUCY1A2 P33402 13/20 0.44
GUCY1A1 Q02108 13/20 0.44
GUCY1B1 Q02153 13/20 0.44
OPRK1 P41145 1/20 0.44
SLC16A3 O15427 1/20 0.43
PIM1 P11309 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL3436818 0.84 GUCY1B2 (0.45) ADORA2AADORA1ADORA3ADORA2BGUCY1B2
SCHEMBL3437386 0.84 GUCY1B2 (0.52) ADORA2AADORA1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL3436826 0.82 GUCY1B2 (0.47) ADORA2AADORA1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL10269227 0.81 GUCY1B2 (0.53) ADORA2AADORA1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL3437435 0.81 GUCY1B2 (0.45) ADORA2AADORA1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL3437397 0.81 GUCY1B2 (0.45) ADORA2AADORA1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL3437368 0.80 GUCY1B2 (0.47) ADORA2AADORA1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL3437387 0.80 MEN1 (0.52) ADORA2AADORA1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL3437135 0.80 CYP2A6 (0.46) ADORA2AADORA1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL3437377 0.80 ADORA2A (0.46) ADORA2AADORA1ADORA3ADORA2BGUCY1B2

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 ADORA2A 1776/4885ADORA1 1904/4885ADORA3 2877/4885
US-20120184516-A1 sGC Stimulators GUCY1A1, PTGIS, GUCY1B1 ADORA2A 1776/4885ADORA1 1904/4885ADORA3 2877/4885
US-20170305878-A1 sGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 ADORA2A 1776/4885ADORA1 1904/4885ADORA3 2877/4885
US-10189809-B2 SGC stimulators GUCY1A1, PTGIS, GUCY1B1 ADORA2A 1776/4885ADORA1 1904/4885ADORA3 2877/4885
US-20190345130-A1 SGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 ADORA2A 1776/4885ADORA1 1904/4885ADORA3 2877/4885

“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.