SCHEMBL3437465

SCHEMBL3437465

Cc1cc(-c2ccccn2)nn1Cc1ccccc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
ALDH1A1 P00352 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
PTGS2 P35354 2/20 0.41
HTT P42858 1/20 0.41
GUCY1B2 O75343 7/20 0.41
GUCY1A2 P33402 7/20 0.41
GUCY1A1 Q02108 7/20 0.41
GUCY1B1 Q02153 7/20 0.41
OPRK1 P41145 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 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
SCHEMBL3437658 0.88 CYP1A2 (0.55) CYP1A2CYP2C19ADORA2AADORA1ALDH1A1
SCHEMBL3437386 0.85 GUCY1B2 (0.52) ADORA2AADORA1ALDH1A1NPC1RAB9A
SCHEMBL10330284 0.84 ADORA2A (0.45) CYP1A2CYP2C19ADORA2AADORA1ALDH1A1
SCHEMBL18899424 0.84 ADORA2A (0.46) CYP1A2CYP2C19ADORA2AADORA1ALDH1A1
SCHEMBL253749 0.84 ADORA2A (0.46) CYP1A2CYP2C19ADORA2AADORA1ALDH1A1
SCHEMBL18405174 0.84 ADORA2A (0.46) CYP1A2CYP2C19ADORA2AADORA1ALDH1A1
SCHEMBL3437439 0.83 MEN1 (0.45) CYP1A2CYP2C19ADORA2AADORA1ALDH1A1
SCHEMBL27936415 0.83 ADORA2A (0.44) CYP1A2CYP2C19ADORA2AADORA1ALDH1A1
SCHEMBL3437137 0.83 GUCY1B2 (0.44) CYP1A2CYP2C19ADORA2AADORA1ALDH1A1
SCHEMBL3437372 0.83 SLC16A3 (0.45) CYP1A2CYP2C19ADORA2AADORA1ALDH1A1

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 CYP1A2 572/4885CYP2C19 659/4885ADORA2A 1776/4885
US-20120184516-A1 sGC Stimulators GUCY1A1, PTGIS, GUCY1B1 CYP1A2 572/4885CYP2C19 659/4885ADORA2A 1776/4885
US-20170305878-A1 sGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 CYP1A2 572/4885CYP2C19 659/4885ADORA2A 1776/4885
US-10189809-B2 SGC stimulators GUCY1A1, PTGIS, GUCY1B1 CYP1A2 572/4885CYP2C19 659/4885ADORA2A 1776/4885
US-20190345130-A1 SGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 CYP1A2 572/4885CYP2C19 659/4885ADORA2A 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.