SCHEMBL3437573

SCHEMBL3437573

N=C(N)c1cc(-c2ncco2)n(Cc2ccccc2F)n1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 16/20 0.59
GUCY1A2 P33402 16/20 0.59
GUCY1A1 Q02108 16/20 0.59
GUCY1B1 Q02153 16/20 0.59
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
OPRK1 P41145 1/20 0.42
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
P2RY14 Q15391 1/20 0.35

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
Hydrochloric Acid SCHEMBL15068942 0.99 GUCY1B2 (0.58) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ADORA3
SCHEMBL10330306 0.82 ADORA2A (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ADORA3
SCHEMBL15068969 0.81 ADORA2A (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ADORA2A
SCHEMBL252933 0.81 GUCY1B2 (0.55) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ADORA3
SCHEMBL17307873 0.79 ACHE (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL252384 0.79 GUCY1B2 (0.59) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3437253 0.79 GUCY1B2 (0.68) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ADORA3
SCHEMBL15068996 0.78 GUCY1B2 (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL15087469 0.78 ADORA2A (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ADORA3
Hydrochloric Acid SCHEMBL15069307 0.78 GUCY1B2 (0.58) 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 20 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
EP-3112363-A1 2-[1-[(2-FLUOROPHENYL)METHYL]-5-(3-ISOXAZOLYL)-1H-PYRAZOL-3-YL]-PYRIMIDINE DERIVATIVES AND RELATED COMPOUNDS AS SOLUBLE GUANYLATE CYCLASE (SGC) STIMULATORS FOR THE TREATMENT OF PULMONARY HYPERTENSION Ironwood Pharmaceuticals, Inc. (US) 2017-01-04 EP disclosed
EP-2797915-B1 2-benzyl-3-(oxazole/thiazole)-5-(pyrimidin-2-yl)-1(H)-pyrazole derivatives as stimulators of the soluble guanylate cyclase (sGC) for the treatment of e.g. hypertension or heart failure IRONWOOD PHARMACEUTICALS INC (US) 2016-07-13 EP disclosed
US-20150342954-A1 2-BENZYL, 3-(PYRIMIDIN-2-YL) SUBSTITUTED PYRAZOLES USEFUL AS SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2015-12-03 US disclosed
US-20150342954-A1 2-BENZYL, 3-(PYRIMIDIN-2-YL) SUBSTITUTED PYRAZOLES USEFUL AS SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2015-12-03 US disclosed
US-9139564-B2 2-benzyl, 3-(pyrimidin-2-yl) substituted pyrazoles useful as sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139564-B2 2-benzyl, 3-(pyrimidin-2-yl) substituted pyrazoles useful as sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2015-09-22 US 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
WO-2013101830-A1 2 - BENZYL, 3 - (PYRIMIDIN- 2 -YL) SUBSTITUTED PYRAZOLES USEFUL AS SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2013-07-04 WO 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 GUCY1B2 6/4885GUCY1A2 4/4885GUCY1A1 1/4885
US-20120184516-A1 sGC Stimulators GUCY1A1, PTGIS, GUCY1B1 GUCY1B2 6/4885GUCY1A2 4/4885GUCY1A1 1/4885
US-20170305878-A1 sGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 GUCY1B2 6/4885GUCY1A2 4/4885GUCY1A1 1/4885
US-20150342954-A1 2-BENZYL, 3-(PYRIMIDIN-2-YL) SUBSTITUTED PYRAZOLES USEFUL AS SGC STIMULATORS PTGIS, PDE3B, GMPS GUCY1B2 9/4885GUCY1A2 4/4885GUCY1A1 14/4885
US-10189809-B2 SGC stimulators GUCY1A1, PTGIS, GUCY1B1 GUCY1B2 6/4885GUCY1A2 4/4885GUCY1A1 1/4885
US-20190345130-A1 SGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 GUCY1B2 6/4885GUCY1A2 4/4885GUCY1A1 1/4885

“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.