SCHEMBL3437439

SCHEMBL3437439

CC(C)c1cc(-c2ccccn2)nn1Cc1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
GUCY1B2 O75343 7/20 0.39
GUCY1A2 P33402 7/20 0.39
GUCY1A1 Q02108 7/20 0.39
GUCY1B1 Q02153 7/20 0.39
OPRK1 P41145 1/20 0.39
KDM4A O75164 1/20 0.39
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39

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
SCHEMBL3437465 0.83 CYP1A2 (0.54) MEN1KMT2AADORA2AADORA1NPC1
SCHEMBL3437386 0.82 GUCY1B2 (0.52) MEN1KMT2AADORA2AADORA1NPC1
SCHEMBL10330284 0.81 ADORA2A (0.45) MEN1KMT2AADORA2AADORA1NPC1
SCHEMBL3437387 0.81 MEN1 (0.52) MEN1KMT2AADORA2AADORA1NPC1
SCHEMBL19513358 0.81 CYP1A2 (0.45) MEN1KMT2AADORA2AADORA1NPC1
SCHEMBL18899424 0.81 ADORA2A (0.46) MEN1KMT2AADORA2AADORA1NPC1
SCHEMBL18405174 0.81 ADORA2A (0.46) MEN1KMT2AADORA2AADORA1NPC1
SCHEMBL253749 0.81 ADORA2A (0.46) MEN1KMT2AADORA2AADORA1NPC1
SCHEMBL27936415 0.80 ADORA2A (0.44) MEN1KMT2AADORA2AADORA1NPC1
SCHEMBL10269227 0.80 GUCY1B2 (0.53) MEN1KMT2AADORA2AADORA1NPC1

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 MEN1 3461/4885KMT2A 4149/4885ADORA2A 1776/4885
US-20120184516-A1 sGC Stimulators GUCY1A1, PTGIS, GUCY1B1 MEN1 3461/4885KMT2A 4149/4885ADORA2A 1776/4885
US-20170305878-A1 sGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 MEN1 3461/4885KMT2A 4149/4885ADORA2A 1776/4885
US-10189809-B2 SGC stimulators GUCY1A1, PTGIS, GUCY1B1 MEN1 3461/4885KMT2A 4149/4885ADORA2A 1776/4885
US-20190345130-A1 SGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 MEN1 3461/4885KMT2A 4149/4885ADORA2A 1776/4885

“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.