SCHEMBL3437372

SCHEMBL3437372

Cc1ccc(-c2cc(-c3ccccn3)nn2Cc2ccccc2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.45
SLC16A1 P53985 1/20 0.45
MCTS1 Q9ULC4 1/20 0.45
GUCY1B2 O75343 9/20 0.44
GUCY1A2 P33402 9/20 0.44
GUCY1A1 Q02108 9/20 0.44
GUCY1B1 Q02153 9/20 0.44
OPRK1 P41145 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
P2RY14 Q15391 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
GRM5 P41594 1/20 0.40

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) SLC16A3SLC16A1MCTS1GUCY1B2GUCY1A2
SCHEMBL3437387 0.90 MEN1 (0.52) SLC16A3SLC16A1MCTS1GUCY1B2GUCY1A2
SCHEMBL3436852 0.89 GUCY1B2 (0.52) SLC16A3SLC16A1MCTS1GUCY1B2GUCY1A2
SCHEMBL3437388 0.89 MEN1 (0.44) SLC16A3SLC16A1MCTS1GUCY1B2GUCY1A2
SCHEMBL3439282 0.88 SLC16A3 (0.47) SLC16A3SLC16A1MCTS1GUCY1B2GUCY1A2
SCHEMBL3437435 0.88 GUCY1B2 (0.45) SLC16A3SLC16A1MCTS1GUCY1B2GUCY1A2
SCHEMBL3436820 0.88 MAPT (0.50) SLC16A3SLC16A1MCTS1GUCY1B2GUCY1A2
SCHEMBL3437386 0.86 GUCY1B2 (0.52) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3437466 0.86 GUCY1B2 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3437458 0.86 GUCY1B2 (0.45) 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 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.