Sugi Predict

Sugi Predict / Compounds / SCHEMBL15087567

SCHEMBL15087567

SCHEMBL15087567

O=S(=O)(O)c1cnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)nc1N1CCOCC1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 20/20 0.79
▸ GUCY1A2 P33402 20/20 0.79
▸ GUCY1A1 Q02108 20/20 0.79
▸ GUCY1B1 Q02153 20/20 0.79

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
SCHEMBL15087559 0.94 GUCY1B2 (0.79) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL16082224 0.89 GUCY1B2 (1.00) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18268431 0.88 GUCY1B2 (0.86) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL16082048 0.86 GUCY1B2 (0.86) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL16081829 0.86 GUCY1B2 (0.86) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL17089008 0.86 GUCY1B2 (0.79) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL16082036 0.86 GUCY1B2 (0.84) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL16082038 0.85 GUCY1B2 (0.83) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3438770 0.85 GUCY1B2 (0.67) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL16081819 0.85 GUCY1B2 (0.79) GUCY1B2GUCY1A2GUCY1A1GUCY1B1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2013101830-A1 2 - BENZYL, 3 - (PYRIMIDIN- 2 -YL) SUBSTITUTED PYRAZOLES USEFUL AS SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2013-07-04 — — 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 (1 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-20150342954-A1 2-BENZYL, 3-(PYRIMIDIN-2-YL) SUBSTITUTED PYRAZOLES USEFUL AS SGC STIMULATORS PTGIS, PDE3B, GMPS GUCY1B2 9/4885GUCY1A2 4/4885GUCY1A1 14/4885

“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.