SCHEMBL174967

SCHEMBL174967

COC(=O)N(CC(F)(F)F)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncc(F)cc23)nc1N

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.62
KCNH2 Q12809 1/20 0.62
PDE5A O76074 17/20 0.52
GUCY1A1 Q02108 2/20 0.51
GUCY1B1 Q02153 2/20 0.51

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
SCHEMBL29424226 1.00 ADORA3 (0.62) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL7509551 0.91 ADORA3 (0.55) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL255819 0.89 ADORA3 (0.78) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL10083045 0.88 KCNH2 (0.79) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL20278520 0.88 ADORA3 (0.66) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL29105173 0.85 ADORA3 (0.62) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL28491103 0.85 ADORA3 (0.54) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL173886 0.82 ADORA3 (0.64) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL255860 0.82 KCNH2 (0.64) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL19399351 0.82 ADORA3 (0.57) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1

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 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180169095-A1 THE USE OF SGC STIMULATORS, SGC ACTIVATORS, ALONE AND COMBINATIONS WITH PDE5 INHIBITORS FOR THE TREATMENT OF DIGITAL ULCERS (DU) CONCOMITANT TO SYSTEMIC SCLEROSIS (SSC) BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-06-21 US claimed
EP-3291811-A1 THE USE OF SGC STIMULATORS, SGC ACTIVATORS, ALONE AND COMBINATIONS WITH PDE5 INHIBITORS FOR THE TREATMENT OF DIGITAL ULCERS (DU) CONCOMITANT TO SYSTEMIC SCLEROSIS (SSC) Bayer Pharma Aktiengesellschaft (DE) 2018-03-14 EP claimed
WO-2016177660-A1 THE USE OF SGC STIMULATORS, SGC ACTIVATORS, ALONE AND COMBINATIONS WITH PDE5 INHIBITORS FOR THE TREATMENT OF DIGITAL ULCERS (DU) CONCOMITANT TO SYSTEMIC SCLEROSIS (SSC) BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-10 WO claimed
US-9266885-B2 Substituted 5-fluoro-1H-pyrazolopyridines and their use ADVERIO PHARMA GMBH (DE) 2016-02-23 US claimed
EP-2576547-B1 SUBSTITUTED 5-FLUORO-1H-PYRAZOLOPYRIDINES AND USE THEREOF ADVERIO PHARMA GMBH (DE) 2016-01-27 EP 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-20220409618-A1 SUBSTITUTED 5-FLUORO-1H-PYRAZOLOPYRIDINES AND THEIR USE ADVERIO PHARMA GMBH (DE) 2022-12-29 US disclosed
US-20220023246-A1 STIMULATORS AND/OR ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE (SGC) IN COMBINATION WITH AN INHIBITOR OF NEUTRAL ENDOPEPTIDASE (NEP INHIBITOR) AND/OR AN ANGIOTENSIN AII ANTAGONIST AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-01-27 US disclosed
US-11166932-B2 Stimulators and/or activators of soluble guanylate cyclase (sGC) in combination with an inhibitor of neutral endopeptidase (NEP inhibitor) and/or an angiotensin AII antagonist and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-11-09 US disclosed
EP-3787610-A1 THE USE OF SGC ACTIVATORS AND SGC STIMULATORS FOR THE TREATMENT OF COGNITIVE IMPAIRMENT Bayer Aktiengesellschaft (DE) 2021-03-10 EP disclosed
US-20210052528-A1 THE USE OF SGC ACTIVATORS AND SGC STIMULATORS FOR THE TREATMENT OF COGNITIVE IMPAIRMENT BAYER AKTIENGESELLSCHAFT (DE) 2021-02-25 US disclosed
US-20200397785-A1 SUBSTITUTED 5-FLUORO-1H-PYRAZOLOPYRIDINES AND THEIR USE ADVERIO PHARMA GMBH (DE) 2020-12-24 US disclosed
US-20120022084-A1 Substituted 5-fluoro-1H-pyrazolopyridines and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-26 US disclosed
WO-2011161099-A1 USE OF STIMULATORS AND ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE FOR TREATING SICKLE-CELL ANEMIA AND CONSERVING BLOOD SUBSTITUTES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-29 WO disclosed
WO-2011161099-A1 USE OF STIMULATORS AND ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE FOR TREATING SICKLE-CELL ANEMIA AND CONSERVING BLOOD SUBSTITUTES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-29 WO disclosed
WO-2011147809-A1 SUBSTITUTED 5-FLUORO-1H-PYRAZOLOPYRIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-01 WO disclosed
WO-2011147810-A1 THE USE OF sGC STIMULATORS, sGC ACTIVATORS, ALONE AND COMBINATIONS WITH PDE5 INHIBITORS FOR THE TREATMENT OF SYSTEMIC SCLEROSIS (SSc). BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-01 WO disclosed
WO-2011147810-A1 THE USE OF sGC STIMULATORS, sGC ACTIVATORS, ALONE AND COMBINATIONS WITH PDE5 INHIBITORS FOR THE TREATMENT OF SYSTEMIC SCLEROSIS (SSc). BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-01 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 (8 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-20180169095-A1 THE USE OF SGC STIMULATORS, SGC ACTIVATORS, ALONE AND COMBINATIONS WITH PDE5 INHIBITORS FOR THE TREATMENT OF DIGITAL ULCERS (DU) CONCOMITANT TO SYSTEMIC SCLEROSIS (SSC) PDE5A, PDE2A, PDE3A ADORA3 3072/4885KCNH2 2945/4885PDE5A 1/4885
US-20150080414-A1 SUBSTITUTED 5-FLUORO-1H-PYRAZOLOPYRIDINES AND THEIR USE PFKP, PON1, FABP3 ADORA3 1633/4885KCNH2 128/4885PDE5A 121/4885
US-20200397785-A1 SUBSTITUTED 5-FLUORO-1H-PYRAZOLOPYRIDINES AND THEIR USE PFKP, PON1, FABP3 ADORA3 1633/4885KCNH2 128/4885PDE5A 121/4885
US-20210052528-A1 THE USE OF SGC ACTIVATORS AND SGC STIMULATORS FOR THE TREATMENT OF COGNITIVE IMPAIRMENT GUCY1A2, GUCY1A1, PRKG1 ADORA3 1349/4885KCNH2 2540/4885PDE5A 10/4885
US-11166932-B2 Stimulators and/or activators of soluble guanylate cyclase (sGC) in combination with an inhibitor of neutral endopeptidase (NEP inhibitor) and/or an angiotensin AII antagonist and the use thereof MME, ECE1, REN ADORA3 2019/4885KCNH2 3014/4885PDE5A 28/4885
US-20220409618-A1 SUBSTITUTED 5-FLUORO-1H-PYRAZOLOPYRIDINES AND THEIR USE PFKP, PON1, FABP3 ADORA3 1633/4885KCNH2 128/4885PDE5A 121/4885
US-20220023246-A1 STIMULATORS AND/OR ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE (SGC) IN COMBINATION WITH AN INHIBITOR OF NEUTRAL ENDOPEPTIDASE (NEP INHIBITOR) AND/OR AN ANGIOTENSIN AII ANTAGONIST AND THE USE THEREOF MME, ECE1, REN ADORA3 2019/4885KCNH2 3014/4885PDE5A 28/4885
US-20120022084-A1 Substituted 5-fluoro-1H-pyrazolopyridines and their use PFKP, PON1, FABP3 ADORA3 1633/4885KCNH2 128/4885PDE5A 121/4885

“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.