SCHEMBL3436905

SCHEMBL3436905

Nc1cnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)nc1N

nearest known ligand 0.87

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 20/20 0.87
GUCY1A2 P33402 20/20 0.87
GUCY1A1 Q02108 20/20 0.87
GUCY1B1 Q02153 20/20 0.87
OPRK1 P41145 1/20 0.75

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 SCHEMBL253278 0.99 GUCY1B2 (0.85) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL29778216 0.93 GUCY1B2 (1.00) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3439299 0.93 GUCY1B2 (1.00) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL15068537 0.92 GUCY1B2 (0.75) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL15780017 0.92 GUCY1B2 (0.87) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
Hydrochloric Acid SCHEMBL15069222 0.92 GUCY1B2 (0.73) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL15087534 0.90 GUCY1B2 (0.84) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3436772 0.90 GUCY1B2 (0.84) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3436902 0.90 GUCY1B2 (0.82) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL16058276 0.89 GUCY1B2 (0.81) 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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107406422-B Pyrazole derivatives as sGC stimulators 赛科理音医疗有限公司 2022-02-01 CN disclosed
EP-3194382-B1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2021-09-08 EP disclosed
EP-3194382-B1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2021-09-08 EP disclosed
US-20210221793-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2021-07-22 US disclosed
US-20210221793-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2021-07-22 US disclosed
US-10844064-B2 sGC stimulators CYCLERION THERAPEUTICS, INC. (US) 2020-11-24 US disclosed
US-10844064-B2 sGC stimulators CYCLERION THERAPEUTICS, INC. (US) 2020-11-24 US disclosed
US-20190345130-A1 SGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2019-11-14 US disclosed
US-20190284168-A1 PYRAZOLE DERIVATIES AS SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC 2019-09-19 US disclosed
US-20190284168-A1 PYRAZOLE DERIVATIES AS SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC 2019-09-19 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-20210221793-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS PTGIS, GMPS, NOS3 GUCY1B2 22/4885GUCY1A2 15/4885GUCY1A1 19/4885
US-20190284168-A1 PYRAZOLE DERIVATIES AS SGC STIMULATORS PTGIS, GMPS, NOS3 GUCY1B2 23/4885GUCY1A2 15/4885GUCY1A1 16/4885
US-10844064-B2 sGC stimulators GUCY1B1, GUCY1A1, PRKG1 GUCY1B2 4/4885GUCY1A2 6/4885GUCY1A1 2/4885
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.