SCHEMBL15068645

SCHEMBL15068645

Oc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1Sc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 20/20 0.67
GUCY1A2 P33402 20/20 0.67
GUCY1A1 Q02108 20/20 0.67
GUCY1B1 Q02153 20/20 0.67
OPRK1 P41145 1/20 0.63

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
SCHEMBL15069104 0.95 GUCY1B2 (0.65) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL17088996 0.93 GUCY1B2 (0.63) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL15087560 0.93 GUCY1B2 (0.63) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL15068664 0.93 GUCY1B2 (0.62) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL15069463 0.89 GUCY1B2 (0.69) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL15087445 0.89 GUCY1B2 (0.64) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL250991 0.88 GUCY1B2 (0.79) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL29831577 0.88 GUCY1B2 (0.79) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL17614775 0.88 GUCY1B2 (0.72) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL18405244 0.85 GUCY1B2 (0.72) 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 13 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-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
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-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-9139564-B2 2-benzyl, 3-(pyrimidin-2-yl) substituted pyrazoles useful as sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
EP-2797915-A1 2 - BENZYL, 3 - (PYRIMIDIN- 2 -YL) SUBSTITUTED PYRAZOLES USEFUL AS SGC STIMULATORS Ironwood Pharmaceuticals, Inc. (US) 2014-11-05 EP 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
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.