SCHEMBL15069147

SCHEMBL15069147

NC(=O)c1cc(-c2cocn2)n(Cc2ccccc2F)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 13/20 0.42
▸ GUCY1A2 P33402 13/20 0.42
▸ GUCY1A1 Q02108 13/20 0.42
▸ GUCY1B1 Q02153 13/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ P2RY14 Q15391 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CACNA1G O43497 1/20 0.37
▸ CACNA1H O95180 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SLC16A3 O15427 1/20 0.37
▸ SLC16A1 P53985 1/20 0.37
▸ MCTS1 Q9ULC4 1/20 0.37
▸ TP53 P04637 1/20 0.36

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
SCHEMBL27987802 0.90 P2RY14 (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL15068996 0.89 GUCY1B2 (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL15069268 0.85 ALDH1A1 (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL21078711 0.81 GUCY1B2 (0.59) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL15068684 0.78 GUCY1B2 (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL15087462 0.76 SLC16A3 (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL15087441 0.75 GUCY1B2 (0.56) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3436839 0.75 GUCY1B2 (0.74) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL28681844 0.73 GUCY1B2 (0.57) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL18899458 0.73 GUCY1B2 (0.40) 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 12 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

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.

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