SCHEMBL431127

SCHEMBL431127

CN(C(=O)OS(C)(=O)=O)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncc(F)cc23)nc1N

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.65
KCNH2 Q12809 1/20 0.65
GUCY1A1 Q02108 2/20 0.51
GUCY1B1 Q02153 2/20 0.51
PDE5A O76074 17/20 0.50

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
SCHEMBL10083045 0.90 KCNH2 (0.79) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL431126 0.89 ADORA3 (0.62) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
Sulfuric Acid SCHEMBL428371 0.88 ADORA3 (0.61) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL173886 0.88 ADORA3 (0.64) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL430664 0.88 KCNH2 (0.65) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
Hydrochloric Acid SCHEMBL427311 0.87 ADORA3 (0.63) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL430662 0.86 ADORA3 (0.58) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL14852804 0.85 GUCY1A1 (0.52) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
Phosphoric Acid SCHEMBL430663 0.85 ADORA3 (0.61) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
Maleic Acid SCHEMBL427303 0.84 ADORA3 (0.60) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266885-B2 Substituted 5-fluoro-1H-pyrazolopyridines and their use ADVERIO PHARMA GMBH (DE) 2016-02-23 US claimed
US-20150080414-A1 SUBSTITUTED 5-FLUORO-1H-PYRAZOLOPYRIDINES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-19 US claimed
US-8921377-B2 Substituted 5-fluoro-1H-pyrazolopyridines and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-12-30 US claimed
US-20120022084-A1 Substituted 5-fluoro-1H-pyrazolopyridines and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-26 US claimed
US-9266885-B2 Substituted 5-fluoro-1H-pyrazolopyridines and their use ADVERIO PHARMA GMBH (DE) 2016-02-23 US disclosed
US-20150080414-A1 SUBSTITUTED 5-FLUORO-1H-PYRAZOLOPYRIDINES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-19 US disclosed
US-8921377-B2 Substituted 5-fluoro-1H-pyrazolopyridines and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-12-30 US disclosed
US-20130237551-A1 Substituted 5-fluoro-1H-pyrazolopyridines and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-12 US disclosed
US-20120022084-A1 Substituted 5-fluoro-1H-pyrazolopyridines and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-26 US 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 (3 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-20150080414-A1 SUBSTITUTED 5-FLUORO-1H-PYRAZOLOPYRIDINES AND THEIR USE PFKP, PON1, FABP3 ADORA3 1633/4885KCNH2 128/4885GUCY1A1 1337/4885
US-20130237551-A1 Substituted 5-fluoro-1H-pyrazolopyridines and their use PFKP, PON1, FABP3 ADORA3 1633/4885KCNH2 128/4885GUCY1A1 1337/4885
US-20120022084-A1 Substituted 5-fluoro-1H-pyrazolopyridines and their use PFKP, PON1, FABP3 ADORA3 1633/4885KCNH2 128/4885GUCY1A1 1337/4885

“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.