SCHEMBL4561849

SCHEMBL4561849

Nc1ccnc(-c2nc(-c3cocn3)n(Cc3ccccc3F)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 9/20 0.43
GUCY1A2 P33402 9/20 0.43
GUCY1A1 Q02108 9/20 0.43
GUCY1B1 Q02153 9/20 0.43
OPRK1 P41145 1/20 0.43
ADORA2A P29274 3/20 0.38
ADORA1 P30542 3/20 0.38
ADORA3 P0DMS8 1/20 0.36
ADORA2B P29275 1/20 0.36
KDM4A O75164 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KCNK13 Q9HB14 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL4562678 0.88 GUCY1B2 (0.39) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL4562514 0.86 NPC1 (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL4558979 0.84 ADORA2A (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL5019645 0.84 GUCY1B2 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL4561715 0.82 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL4560653 0.82 GUCY1B2 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL5019644 0.82 GUCY1B2 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL5019580 0.80 ADORA2A (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL15627185 0.79 ADORA2A (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL5019606 0.78 ADORA2A (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 18 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
CN-103402515-A Sgc stimulators IRONWOOD PHARMACEUTICALS INC 2013-11-20 CN 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.