SCHEMBL3439282

SCHEMBL3439282

Oc1ccc(-c2cc(-c3ccccn3)nn2Cc2ccccc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 3/20 0.47
SLC16A1 P53985 3/20 0.47
MCTS1 Q9ULC4 3/20 0.47
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
GUCY1B2 O75343 12/20 0.44
GUCY1A2 P33402 12/20 0.44
GUCY1A1 Q02108 12/20 0.44
GUCY1B1 Q02153 12/20 0.44
OPRK1 P41145 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MET P08581 1/20 0.38
KDM4A O75164 1/20 0.37
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 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
SCHEMBL3437397 0.91 GUCY1B2 (0.45) SLC16A3SLC16A1MCTS1ADORA2AADORA1
SCHEMBL3437387 0.90 MEN1 (0.52) SLC16A3SLC16A1MCTS1ADORA2AADORA1
SCHEMBL3437372 0.88 SLC16A3 (0.45) SLC16A3SLC16A1MCTS1ADORA2AADORA1
SCHEMBL3437435 0.88 GUCY1B2 (0.45) SLC16A3SLC16A1MCTS1ADORA2AADORA1
SCHEMBL3437386 0.86 GUCY1B2 (0.52) ADORA2AADORA1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL10330213 0.85 GUCY1B2 (0.42) SLC16A3SLC16A1MCTS1ADORA2AADORA1
SCHEMBL10269222 0.85 EGLN2 (0.51) SLC16A3SLC16A1MCTS1ADORA2AADORA1
SCHEMBL3436820 0.85 MAPT (0.50) SLC16A3SLC16A1MCTS1ADORA2AADORA1
SCHEMBL10269227 0.84 GUCY1B2 (0.53) ADORA2AADORA1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL3437364 0.84 MEN1 (0.45) SLC16A3SLC16A1MCTS1ADORA2AADORA1

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 SLC16A3 4528/4885SLC16A1 4078/4885MCTS1 2156/4885
US-20120184516-A1 sGC Stimulators GUCY1A1, PTGIS, GUCY1B1 SLC16A3 4528/4885SLC16A1 4078/4885MCTS1 2156/4885
US-20170305878-A1 sGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 SLC16A3 4528/4885SLC16A1 4078/4885MCTS1 2156/4885
US-10189809-B2 SGC stimulators GUCY1A1, PTGIS, GUCY1B1 SLC16A3 4528/4885SLC16A1 4078/4885MCTS1 2156/4885
US-20190345130-A1 SGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 SLC16A3 4528/4885SLC16A1 4078/4885MCTS1 2156/4885

“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.