SCHEMBL253707

SCHEMBL253707

N#Cc1c(-c2ccccn2)nn(Cc2ccccc2F)c1-c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
BUB1 O43683 5/20 0.40
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 2/20 0.39
GUCY1B2 O75343 1/20 0.39
GUCY1A2 P33402 1/20 0.39
GUCY1A1 Q02108 1/20 0.39
GUCY1B1 Q02153 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PDE5A O76074 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL3436798 0.83 ADORA2A (0.51) ADORA2AADORA1BUB1ALDH1A1KMT2A
SCHEMBL3437443 0.81 ADORA2A (0.50) ADORA2AADORA1BUB1ALDH1A1KMT2A
SCHEMBL3437150 0.81 ADORA2A (0.50) ADORA2AADORA1BUB1ALDH1A1KMT2A
SCHEMBL252580 0.81 ADORA2A (0.50) ADORA2AADORA1BUB1ALDH1A1KMT2A
SCHEMBL10330216 0.79 ADORA2A (0.47) ADORA2AADORA1BUB1ALDH1A1KMT2A
SCHEMBL3436855 0.77 NR1H2 (0.43) ADORA2AADORA1BUB1ALDH1A1KMT2A
SCHEMBL3436836 0.76 ADORA2A (0.44) ADORA2AADORA1BUB1ALDH1A1KMT2A
SCHEMBL18899033 0.76 ADORA2A (0.34) ADORA2AADORA1ALDH1A1KMT2APOLB
SCHEMBL10268914 0.75 GUCY1B2 (0.48) ADORA2AADORA1BUB1ALDH1A1KMT2A
SCHEMBL4561922 0.75 NPC1 (0.46) ADORA2AADORA1BUB1ALDH1A1KMT2A

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-20250243177-A1 sGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2025-07-31 US disclosed
US-20190345130-A1 SGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2019-11-14 US disclosed
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-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-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
EP-2588465-A1 SGC STIMULATORS Ironwood Pharmaceuticals, Inc. (US) 2013-05-08 EP 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 (6 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 1904/4885BUB1 4730/4885
US-20120184516-A1 sGC Stimulators GUCY1A1, PTGIS, GUCY1B1 ADORA2A 1776/4885ADORA1 1904/4885BUB1 4730/4885
US-20170305878-A1 sGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 ADORA2A 1776/4885ADORA1 1904/4885BUB1 4730/4885
US-10189809-B2 SGC stimulators GUCY1A1, PTGIS, GUCY1B1 ADORA2A 1776/4885ADORA1 1904/4885BUB1 4730/4885
US-20190345130-A1 SGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 ADORA2A 1776/4885ADORA1 1904/4885BUB1 4730/4885
US-20250243177-A1 sGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 ADORA2A 1776/4885ADORA1 1904/4885BUB1 4730/4885

“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.