SCHEMBL15068643

SCHEMBL15068643

CCOC(=O)c1cc(-c2ccon2)n(Cc2cccnc2F)n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 19/20 0.44
GUCY1A2 P33402 19/20 0.44
GUCY1A1 Q02108 19/20 0.44
GUCY1B1 Q02153 19/20 0.44
OPRK1 P41145 1/20 0.44
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL251237 0.87 GUCY1B2 (0.54) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL17611641 0.87 GUCY1B2 (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL17089003 0.86 GUCY1B2 (0.55) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL23947716 0.83 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL17307878 0.81 GUCY1B2 (0.49) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL17089012 0.81 TDP2 (0.38) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL16082701 0.79 KDM4E (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL15087533 0.78 GUCY1B2 (0.64) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL253135 0.77 ALDH1A1 (0.44) KDM4EALDH1A1POLBCYP2C9
SCHEMBL17611617 0.77 GUCY1B2 (0.51) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E

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 11 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-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.